Chemsrc provides Signaling Pathways's classification. They are divided into Anti-infection, Antibody-drug Conjugate, Apoptosis, Autophagy, Cell Cycle/DNA Damage, Cytoskeleton, Epigenetics, GPCR/G Protein, Immunology/Inflammation, JAK/STAT Signaling, MAPK/ERK Pathway, Membrane Transporter/Ion Channel, Metabolic Enzyme/Protease, Neuronal Signaling, NF-κB, PI3K/Akt/mTOR, PROTAC, Protein Tyrosine Kinase/RTK, Stem Cell/Wnt, TGF-beta/Smad, Vitamin D Related, Others according to their Biological activity.


Anti-infection >
Arenavirus Bacterial CMV Enterovirus Filovirus Fungal HBV HCV HIV HSV Influenza Virus Parasite Reverse Transcriptase RSV SARS-CoV
Antibody-drug Conjugate >
ADC Cytotoxin ADC Linker Drug-Linker Conjugates for ADC PROTAC-linker Conjugate for PAC
Apoptosis >
Apoptosis Bcl-2 Family c-Myc Caspase DAPK Ferroptosis IAP MDM-2/p53 PKD RIP kinase Survivin Thymidylate Synthase TNF Receptor
Autophagy >
Autophagy LRRK2 ULK Mitophagy
Cell Cycle/DNA Damage >
Antifolate APC ATM/ATR Aurora Kinase Casein Kinase CDK Checkpoint Kinase (Chk) CRISPR/Cas9 Deubiquitinase DNA Alkylator/Crosslinker DNA-PK DNA/RNA Synthesis Eukaryotic Initiation Factor (eIF) G-quadruplex Haspin Kinase HDAC HSP IRE1 Kinesin LIM Kinase (LIMK) Microtubule/Tubulin Mps1 Nucleoside Antimetabolite/Analog p97 PAK PARP PERK Polo-like Kinase (PLK) PPAR RAD51 ROCK Sirtuin SRPK Telomerase TOPK Topoisomerase Wee1
Cytoskeleton >
Arp2/3 Complex Dynamin Gap Junction Protein Integrin Kinesin Microtubule/Tubulin Mps1 Myosin PAK
Epigenetics >
AMPK Aurora Kinase DNA Methyltransferase Epigenetic Reader Domain HDAC Histone Acetyltransferase Histone Demethylase Histone Methyltransferase JAK MicroRNA PARP PKC Sirtuin Protein Arginine Deiminase
GPCR/G Protein >
5-HT Receptor Adenosine Receptor Adenylate Cyclase Adiponectin Receptor Adrenergic Receptor Angiotensin Receptor Bombesin Receptor Bradykinin Receptor Cannabinoid Receptor CaSR CCR CGRP Receptor Cholecystokinin Receptor CRFR CXCR Dopamine Receptor EBI2/GPR183 Endothelin Receptor GHSR Glucagon Receptor Glucocorticoid Receptor GNRH Receptor GPCR19 GPR109A GPR119 GPR120 GPR139 GPR40 GPR55 GPR84 Guanylate Cyclase Histamine Receptor Imidazoline Receptor Leukotriene Receptor LPL Receptor mAChR MCHR1 (GPR24) Melatonin Receptor mGluR Motilin Receptor Neurokinin Receptor Neuropeptide Y Receptor Neurotensin Receptor Opioid Receptor Orexin Receptor (OX Receptor) Oxytocin Receptor P2Y Receptor Prostaglandin Receptor Protease-Activated Receptor (PAR) Ras RGS Protein Sigma Receptor Somatostatin Receptor TSH Receptor Urotensin Receptor Vasopressin Receptor Melanocortin Receptor
Immunology/Inflammation >
Aryl Hydrocarbon Receptor CCR Complement System COX CXCR FLAP Histamine Receptor IFNAR Interleukin Related IRAK MyD88 NO Synthase NOD-like Receptor (NLR) PD-1/PD-L1 PGE synthase Salt-inducible Kinase (SIK) SPHK STING Thrombopoietin Receptor Toll-like Receptor (TLR) Arginase
JAK/STAT Signaling >
EGFR JAK Pim STAT
MAPK/ERK Pathway >
ERK JNK KLF MAP3K MAP4K MAPKAPK2 (MK2) MEK Mixed Lineage Kinase MNK p38 MAPK Raf Ribosomal S6 Kinase (RSK)
Membrane Transporter/Ion Channel >
ATP Synthase BCRP Calcium Channel CFTR Chloride Channel CRAC Channel CRM1 EAAT2 GABA Receptor GlyT HCN Channel iGluR Monoamine Transporter Monocarboxylate Transporter Na+/Ca2+ Exchanger Na+/HCO3- Cotransporter Na+/K+ ATPase nAChR NKCC P-glycoprotein P2X Receptor Potassium Channel Proton Pump SGLT Sodium Channel TRP Channel URAT1
Metabolic Enzyme/Protease >
15-PGDH 5 alpha Reductase 5-Lipoxygenase Acetyl-CoA Carboxylase Acyltransferase Adenosine Deaminase Adenosine Kinase Aldehyde Dehydrogenase (ALDH) Aldose Reductase Aminopeptidase Angiotensin-converting Enzyme (ACE) ATGL ATP Citrate Lyase Carbonic Anhydrase Carboxypeptidase Cathepsin CETP COMT Cytochrome P450 Dipeptidyl Peptidase Dopamine β-hydroxylase E1/E2/E3 Enzyme Elastase Enolase FAAH FABP Factor Xa Farnesyl Transferase Fatty Acid Synthase (FAS) FXR Glucokinase GSNOR Gutathione S-transferase HCV Protease Hexokinase HIF/HIF Prolyl-Hydroxylase HIV Integrase HIV Protease HMG-CoA Reductase (HMGCR) HSP Indoleamine 2,3-Dioxygenase (IDO) Isocitrate Dehydrogenase (IDH) Lactate Dehydrogenase LXR MAGL Mineralocorticoid Receptor Mitochondrial Metabolism MMP Nampt NEDD8-activating Enzyme Neprilysin PAI-1 PDHK PGC-1α Phosphatase Phosphodiesterase (PDE) Phospholipase Procollagen C Proteinase Proteasome Pyruvate Kinase RAR/RXR Renin ROR Ser/Thr Protease SGK Stearoyl-CoA Desaturase (SCD) Thrombin Tryptophan Hydroxylase Tyrosinase Xanthine Oxidase
Neuronal Signaling >
5-HT Receptor AChE Adenosine Kinase Amyloid-β Beta-secretase CaMK CGRP Receptor COMT Dopamine Receptor Dopamine Transporter FAAH GABA Receptor GlyT iGluR Imidazoline Receptor mAChR Melatonin Receptor Monoamine Oxidase nAChR Neurokinin Receptor Opioid Receptor Serotonin Transporter γ-secretase
NF-κB >
NF-κB IKK Keap1-Nrf2 MALT1
PI3K/Akt/mTOR >
Akt AMPK ATM/ATR DNA-PK GSK-3 MELK mTOR PDK-1 PI3K PI4K PIKfyve PTEN
PROTAC >
PROTAC E3 Ligase Ligand-Linker Conjugate Ligand for E3 Ligase PROTAC Linker PROTAC-linker Conjugate for PAC
Protein Tyrosine Kinase/RTK >
Ack1 ALK Bcr-Abl BMX Kinase Btk c-Fms c-Kit c-Met/HGFR Discoidin Domain Receptor DYRK EGFR Ephrin Receptor FAK FGFR FLT3 IGF-1R Insulin Receptor IRAK Itk PDGFR PKA Pyk2 ROS Src Syk TAM Receptor Trk Receptor VEGFR
Stem Cell/Wnt >
Casein Kinase ERK Gli GSK-3 Hedgehog Hippo (MST) JAK Notch Oct3/4 PKA Porcupine ROCK sFRP-1 Smo STAT TGF-beta/Smad Wnt YAP β-catenin γ-secretase
TGF-beta/Smad >
TGF-beta/Smad PKC ROCK TGF-β Receptor
Vitamin D Related >
VD/VDR
Others >
Androgen Receptor Aromatase Estrogen Receptor/ERR Progesterone Receptor Thyroid Hormone Receptor Others

Dasotraline (hydrochloride)

Dasotraline hydrochloride (SEP-225289 hydrochloride) is a triple reuptake inhibitor that blocks dopamine, norepinephrine, and serotonin transporters with IC50 values of 4, 6, and 11 nM, respectively.

  • CAS Number: 675126-08-6
  • MF: C16H16Cl3N
  • MW: 328.664
  • Catalog: Dopamine Transporter
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Biotinyl-NH-PEG3-C3-amido-C3-COOH

Biotinyl-NH-PEG3-C3-amido-C3-COOH is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 1202761-21-4
  • MF: C25H44N4O8S
  • MW: 560.70
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sarpagan-17-ol

(19Z)-Normacusine B, Gelsemiurn alkaloids, is a natural product that can be isolated from Gelsemiurn[1].

  • CAS Number: 124096-81-7
  • MF: C19H22N2O
  • MW: 294.39
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 472.7±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 239.7±28.7 °C

Effusol

Effusol, a phenolic constituent from Juncus effuses, exhibits potent scavenging activity for DPPH and ABTS radicals, with IC50 values of 79 μM and 2.73 μM, respectively. Effusol rescues CA1 LTP attenuated by corticosterone, defending the hippocampal function against stress-induced cognitive decline[1].

  • CAS Number: 73166-28-6
  • MF: C17H16O2
  • MW: 252.30800
  • Catalog: Neurological Disease
  • Density: 1.229g/cm3
  • Boiling Point: 508.9ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 248.4ºC

CCK2R Ligand-Linker Conjugates 1

CCK2R ligand CRL is a ligand-linker conjugate; which conjugates to the cytotoxic antimicrotubule agents Desacetyl Vinblastine Hydrazide (DAVBH) and Tubulysin B Hydrazide (TubBH) via a hydrophilic peptide linker[1].

  • CAS Number: 1452145-13-9
  • MF: C72H110N12O27S
  • MW: 1607.77
  • Catalog: ADC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SJ 172550

SJ-172550 is a small molecule inhibitor of MDMX; competes for the wild type p53 peptide binding to MDMX with an EC50 of 5 μM.

  • CAS Number: 431979-47-4
  • MF: C22H21ClN2O5
  • MW: 428.87
  • Catalog: MDM-2/p53
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 560.8±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 293.0±32.9 °C

mGlu4 receptor agonist 1

mGlu4 receptor agonist 1 (compound 62) is a potent mGlu4 receptor positive allosteric modulator, with an EC50 of 308 nM. mGlu4 receptor agonist 1 shows significant anxiolytic- and antipsychotic-like effect[1].

  • CAS Number: 1678501-16-0
  • MF: C21H15ClN4O2
  • MW: 390.82
  • Catalog: mGluR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Gypenoside XVII

Gypenoside XVII, a novel phytoestrogen belonging to the gypenosides, can activate estrogen receptors.

  • CAS Number: 80321-69-3
  • MF: C48H82O18
  • MW: 947.154
  • Catalog: Cardiovascular Disease
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 1013.5±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 566.8±34.3 °C

Uridine-5-oxyacetic acid

Uridine-5-oxyacetic acid is a purine nucleoside analogue. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].

  • CAS Number: 28144-25-4
  • MF: C11H14N2O9
  • MW: 318.24
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Bananin

Bananin is an effective inhibitor of the ATPase activity of the SARS Coronavirus helicase with an IC50 value of 2.3 μM.

  • CAS Number: 665026-57-3
  • MF: C14H17NO8
  • MW: 327.29
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Fl-DIBO

Fl-DIBO (fluorogenic dibenzocyclooctyne) is a selective and high sensitivity fluorescent probe to azide compounds. Fl-DIBO can react rapidly with azide compounds to form new highly fluorescent products with a maximum emission wavelength of 469 nm and excitation wavelength of 363 nm. Fl-DIBO can be used to label diazo-tagged proteins without detectable background signal interference[1][2].

  • CAS Number: 1407523-31-2
  • MF: C19H12O3
  • MW: 288.30
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tyrphostin 47

Tyrphostin AG213 (AG213) is an inhibitor of epidermal growth factor receptor (EGFR) protein tyrosine kinase (IC50=0.85 μM). Tyrphostin AG213 inhibits tyrosine kinase activity IC50=2.4 μM) and topoisomerase II (IC100=50 μM). Tyrphostin AG213 can induce nonapoptotic cell programmed death in tumor cells[1][2][3].

  • CAS Number: 122520-86-9
  • MF: C10H8N2O2S
  • MW: 220.248
  • Catalog: Topoisomerase
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 474.5±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 240.8±31.5 °C

A-887826

A-887826 is a potent, selective, oral bioavailable and voltage-dependent Na(v)1.8 sodium channel blocker with an IC50 of 11 nM . A-887826 attenuates neuropathic tactile allodynia in vivo[1].

  • CAS Number: 1266212-81-0
  • MF: C26H29ClN4O3
  • MW: 480.98600
  • Catalog: Sodium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Pirenperone

Pirenperone (R 47465) is a 5-HT2 serotonin receptor antagonist. Pirenperone exhibits modest anxiolytic activity[1][2].

  • CAS Number: 75444-65-4
  • MF: C23H24FN3O2
  • MW: 393.45
  • Catalog: 5-HT Receptor
  • Density: 1.26g/cm3
  • Boiling Point: 556.3ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 290.2ºC

LY3214996

LY3214996 is a highly selective inhibitor of ERK1 and ERK2, with IC50 of 5 nM for both enzymes in biochemical assays.

  • CAS Number: 1951483-29-6
  • MF: C22H27N7O2S
  • MW: 453.560
  • Catalog: ERK
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 711.5±70.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 384.1±35.7 °C

hCAIX/XII-IN-4

hCAIX/XII-IN-4 (compound 6c) is a potent CAIX/XII inhibitor with the Ki values of 4.5 nM, 23.6 nM, >10000 nM and >10000 nM for CAXII, CAIX, CAI and CAⅡ, respectively[1].

  • CAS Number: 1119200-33-7
  • MF: C20H16N2O5
  • MW: 364.35
  • Catalog: Carbonic Anhydrase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BIBN-99

BIBN-99 is a selective, BBB-penetrable and competitive muscarinic M2 receptor antagonist. BIBN-99 improves cognitive performancein rats with traumatic brain injury[1][2].

  • CAS Number: 145301-48-0
  • MF: C31H42ClN5O3
  • MW: 568.15000
  • Catalog: mAChR
  • Density: 1.172g/cm3
  • Boiling Point: 709.8ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 383.1ºC

Anti-inflammatory agent 57

Anti-inflammatory agent 57 (Compound 13), pyranocoumarin, is a nature product. Anti-inflammatory agent 57 can be isolated from the roots of Peucedanum praeruptorum. Anti-inflammatory agent 57 has multidrug-resistance (MDR) reversal and anti-inflammatory effect[1].

  • CAS Number: 440094-34-8
  • MF: C19H20O7
  • MW: 360.36
  • Catalog: Inflammation/Immunology
  • Density: 1.31±0.1 g/cm3(Predicted)
  • Boiling Point: 458.9±45.0 °C(Predicted)
  • Melting Point: 208 °C
  • Flash Point: N/A

Menin-MLL inhibitor 19

Menin-MLL inhibitor 19, a potent exo-aza spiro inhibitor of menin-mll interaction, example A17, extracted from patent WO2019120209A1. Menin-MLL inhibitor 19 can be used for the reseaech of various diseases, such as cancer, myelodysplastic syndrome (MDS) and diabetes[1].

  • CAS Number: 2360487-93-8
  • MF: C30H34F3N7O4S
  • MW: 645.70
  • Catalog: Epigenetic Reader Domain
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

4-Hydroxyindole

4-Hydroxyindole is a member of the class of hydroxyindoles that is 1H-indole substituted by a hydroxy group at position 4. 4-Hydroxyindole is an important raw material or intermediate in the synthesis of pharmaceutical products and industrial polymers[1].

  • CAS Number: 2380-94-1
  • MF: C8H7NO
  • MW: 133.147
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 343.2±15.0 °C at 760 mmHg
  • Melting Point: 97-99 °C(lit.)
  • Flash Point: 161.4±20.4 °C

(S)-2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-8-hydroxy-4H-1-benzopyran-4-one

Flavanomarein is a predominant flavonoid of Coreopsis tinctoria Nutt with protective effects against diabetic nephropathy. Flavanomarein has good antioxidative, antidiabetic, antihypertensive and anti-hyperlipidemic activities[1][2].

  • CAS Number: 577-38-8
  • MF: C21H22O11
  • MW: 450.39300
  • Catalog: Cardiovascular Disease
  • Density: 1.665g/cm3
  • Boiling Point: 818.2ºC at 760 mmHg
  • Melting Point: 243-246ºC
  • Flash Point: 288.9ºC

DDO-7263

DDO-7263, a 1,2,4-Oxadiazole derivative, is a potent Nrf2 activator. DDO-7263 upregulates Nrf2 through binding to Rpn6 to block the assembly of 26S proteasome and the subsequent degradation of ubiquitinated Nrf2. DDO-7263 activates the Nrf2-ARE signaling pathway and exerts anti-inflammatory activity[1].

  • CAS Number: 2254004-96-9
  • MF: C14H9F2N3O
  • MW: 273.24
  • Catalog: Keap1-Nrf2
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

navuridine

3′-Azido-2′,3′-dideoxyuridine (AzdU) is a nucleoside analog of Zidovudine (HY-17413). 3′-Azido-2′,3′-dideoxyuridine is a potent inhibitor of human immunodeficiency virus (HIV) replication in human peripheral blood mononuclear cells (PBMC) with limited toxicity for human bone marrow cells (BMC)[1][2][3].

  • CAS Number: 84472-85-5
  • MF: C9H11N5O4
  • MW: 253.215
  • Catalog: HIV
  • Density: 1.357 g/cm
  • Boiling Point: N/A
  • Melting Point: 161-163ºC
  • Flash Point: N/A

Kadsuracoccinic acid A

Kadsuracoccinic acid A is a tetracyclic natural compound that can be isolated from the stems of Kadsura coccinea. Kadsuracoccinic acid A has vitro anti-HIV-1 activitiy with an EC50 value of 68.7 μM[1].

  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 622.6±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 344.3±28.0 °C

MJN-228

MJN-228 is a selective ligand for the lipid-binding protein nucleobindin 1 (NUCB1) with IC50 of 3.3 uM (blocks AEA-DA probe labeling of NUCB1); shows no affinity for other arachidonoyl probe-protein interactions in HEK293T cell lysate; a probe used to elucidate the role of NUCB1 in lipid metabolic pathways in cells.

  • CAS Number: 459168-97-9
  • MF: C20H20N4O3
  • MW: 364.398
  • Catalog: Metabolic Disease
  • Density: 1.3±0.0 g/cm3
  • Boiling Point: 629.8±0.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 334.7±0.0 °C

Tenacissoside X

Tenacissoside X (Tenacissoside J) is a compound isolated from Marsdenia tenacissima. Marsdenia tenacissima, a traditional Chinese herbal medicine, has long been used for the research of asthma, tracheitis, rheumatism, etc[1][2].

  • CAS Number: 875057-87-7
  • MF: C61H96O27
  • MW: 1261.399
  • Catalog: Inflammation/Immunology
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Hydroxy-PP-Me is a potent and specific CBR1 inhibitor with an IC50 of 759 nM. Hydroxy-PP-Me inhibits serum-withdrawal-induced apoptosis. Hydroxy-PP-Me increases As2O3-induced apoptotic cell death compared with As2O3 alone[1][2].

  • CAS Number: 833481-77-9
  • MF: C16H18N4O
  • MW: 282.34
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

8-Benzyloxyadenosine

8-Benzyloxyadenosine is an adenosine analogue. Adenosine analogs mostly act as smooth muscle vasodilators and have also been shown to inhibit cancer progression. The popular products in this series are adenosine phosphate, Acadesine (HY-13417), Clofarabine (HY-A0005), Fludarabine phosphate (HY-B0028) and Vidarabine (HY-B0277)[1].

  • CAS Number: 131265-29-7
  • MF: C17H19N5O5
  • MW: 373.36
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

12S-HHTrE

12S-HHT (12(S)-HHTrE) is an enzymatic product of prostaglandin H2 (PGH2) derived from cyclooxygenase (COX)-mediated arachidonic acid metabolism. 12S-HHT is an endogenous ligand for BLT2 that fully activates BLT2 in vivo. 12S-HHT suppresses UV-induced IL-6 synthesis in keratinocytes, exerting an anti-inflammatory activity[1][2].

  • CAS Number: 54397-84-1
  • MF: C17H28O3
  • MW: 280.402
  • Catalog: Leukotriene Receptor
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 451.8±45.0 °C at 760 mmHg
  • Melting Point: 151.79 (Mean or Weighted MP)ºC
  • Flash Point: 241.1±25.2 °C

Onradivir

Onradivir is a significantly better anti-influenza virus agent extracted from patent WO2021047437 A1.

  • CAS Number: 2200336-20-3
  • MF: C22H22F2N6O2
  • MW: 440.45
  • Catalog: Influenza Virus
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A