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

3-Hydroxy-4',5-dimethoxystilbene

3-Hydroxy-4',5-dimethoxystilbene is a natural compound found in stem bark of Morus nigra L[1].

  • CAS Number: 58436-29-6
  • MF: C16H16O3
  • MW: 256.296
  • Catalog: Cancer
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 453.4±33.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 228.0±25.4 °C

Biotin-PEG3-acid

Biotin-PEG3-acid is a biotin-labeled, PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 252881-76-8
  • MF: C19H33N3O7S
  • MW: 447.546
  • Catalog: PROTAC Linker
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 770.7±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 419.9±32.9 °C

BIBU1361

BIBU1361 induces apoptosis and inhibits autophagy. BIBU1361 inhibits pro-survival pathways Akt/mTOR and gp130/JAK/STAT3, and decreased levels of pro-inflammatory cytokine IL-6[1].

  • CAS Number: 793726-84-8
  • MF: C22H27ClFN7
  • MW: 443.95
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: 663.5ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 355.1ºC

basmisanil

Basmisanil is a highly selective GABAAα5 negative allosteric modulator.

  • CAS Number: 1159600-41-5
  • MF: C21H20FN3O5S
  • MW: 445.464
  • Catalog: GABA Receptor
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 726.6±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 393.2±32.9 °C

AT101

(R)-(-)-Gossypol acetic acid (AT-101 (acetic acid)) is the levorotatory isomer of a natural product Gossypol. AT-101 is determined to bind to Bcl-2, Mcl-1 and Bcl-xL proteins with Kis of 260±30 nM, 170±10 nM, and 480±40 nM, respectively.

  • CAS Number: 866541-93-7
  • MF: C32H34O10
  • MW: 578.60600
  • Catalog: Bcl-2 Family
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

APS3

APS3 is a GABA and nACh receptors inhibitor, with a LC50 of 7.2423 μg/mL against Plutella xylostella[1].

  • CAS Number: 1225373-70-5
  • MF: C18H7Cl2F6N5O5S2
  • MW: 622.31
  • Catalog: GABA Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Nicoclonate hydrochloride

Nicoclonate (hydrochloride)(Nicoclonol (hydrochloride)) is an antilipemic agent[1].

  • CAS Number: 10400-20-1
  • MF: C16H17Cl2NO2
  • MW: 326.21800
  • Catalog: Others
  • Density: N/A
  • Boiling Point: 390.1ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 189.7ºC

Thalidomide-NH-PEG3-COOH

Thalidomide-NH-PEG3-COOH is a synthesized E3 ligase ligand-linker conjugate that incorporates the Thalidomide based cereblon ligand and a linker used in PROTAC technology[1].

  • CAS Number: 2375283-62-6
  • MF: C22H27N3O9
  • MW: 477.46
  • Catalog: E3 Ligase Ligand-Linker Conjugate
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

4-Octylphenol-d17

4-Octylphenol-d17 is the deuterium labeled 4-Octylphenol[1].

  • CAS Number: 1219794-55-4
  • MF: C14H5D17O
  • MW: 223.429
  • Catalog: Others
  • Density: 0.9±0.1 g/cm3
  • Boiling Point: 314.6±11.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 172.6±9.4 °C

NBTGR

NBTGR (p-Nitrobenzylthioguanosine) is a potent inhibitor of nucleoside transport; inhibits adenosine uptake with a Ki of 70 nM.

  • CAS Number: 13153-27-0
  • MF: C17H18N6O6S
  • MW: 434.42600
  • Catalog: Cardiovascular Disease
  • Density: 1.87g/cm3
  • Boiling Point: 858.3ºC at 760mmHg
  • Melting Point: 203-205ºC
  • Flash Point: 472.9ºC

Lorpucitinib

Lorpucitinib is a Gut-Restricted JAK Inhibitor for the research of Inflammatory Bowel Disease[1].

  • CAS Number: 2230282-02-5
  • MF: C22H28N6O2
  • MW: 408.50
  • Catalog: JAK
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

N3-Pen-Dde

N3-Pen-Dde is a click chemistry reagent containing an azide group.

  • CAS Number: 1867129-38-1
  • MF: C13H19N3O3
  • MW: 265.31
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(24S)-25-Hydroxy-20,24-epoxydammaran-3-one

Ocotillone ((24S)-20,24-Epoxy-25-hydroxydammaran-3-one) is a triterpenoids that can be isolated from the fruits of Dysoxylum richii. Ocotillone has antibacterial activities against P. aeruginosa and S. typhimurium without hemolytic activity[1].

  • CAS Number: 35761-54-7
  • MF: C30H50O3
  • MW: 458.716
  • Catalog: Bacterial
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 531.5±15.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 161.7±13.9 °C

20-(Tert-Butoxy)-20-Oxoicosanoic Acid

20-(tert-Butoxy)-20-oxoicosanoic acid is a non-cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs). 20-(tert-Butoxy)-20-oxoicosanoic acid is also a alkyl chain-based PROTAC linker that can be used in the synthesis of PROTACs

  • CAS Number: 683239-16-9
  • MF: C24H46O4
  • MW: 398.620
  • Catalog: ADC Linker
  • Density: 0.9±0.1 g/cm3
  • Boiling Point: 496.0±18.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 152.4±14.7 °C

Gardenin B

Gardenin B is a flavonoid isolated from Baccharis scandens. Gardenin B induces cell death in human leukemia cells involves multiple caspases[1].

  • CAS Number: 2798-20-1
  • MF: C19H18O7
  • MW: 358.342
  • Catalog: Apoptosis
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 582.0±50.0 °C at 760 mmHg
  • Melting Point: 180-181ºC
  • Flash Point: 210.8±23.6 °C

Astilbin

Astilbin, a flavonoid compound, is isolated from the rhizome of Smilax glabra. Astilbin enhances NRF2 activation. Astilbin also suppresses TNF-α expression and NF-κB activation.

  • CAS Number: 29838-67-3
  • MF: C21H22O11
  • MW: 450.393
  • Catalog: TNF Receptor
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 801.1±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 282.9±27.8 °C

DPP-4/GPR119 modulator 2

DPP-4/GPR119 modulator 2 (Compound 20i) is a dipeptidyl peptidase IV (DPP-IV) inhibitor and GPR119 agonist with an IC50 of 0.22 µM for DPP-IV and an EC50 of 0.95 µM for GPR119. DPP-4/GPR119 modulator 2 can be used for diabetes research[1].

  • CAS Number: 2010927-65-6
  • MF: C30H40N8O3
  • MW: 560.69
  • Catalog: GPR119
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Masilukast

Masilukast is an orally administered cysteinyl leukotriene D4 (LTD4) receptor antagonist with potential to treat asthma.

  • CAS Number: 136564-68-6
  • MF: C31H32F3N3O5S
  • MW: 615.66300
  • Catalog: Leukotriene Receptor
  • Density: 1.31g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MK-571

MK-571 sodium salt is a selective, orally active leukotriene D4 receptor antagonist, with Kis of 0.22 and 2.1 nM in guinea pig and human lung membranes.

  • CAS Number: 115103-85-0
  • MF: C26H26ClN2NaO3S2
  • MW: 537.069
  • Catalog: Leukotriene Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

COG 133

COG 133 is a fragment of Apolipoprotein E (APOE) peptide. COG 133 competes with the ApoE holoprotein for binding the LDL receptor, with potent anti-inflammatory and neuroprotective effects. COG 133 is also a nAChR antagonist with an IC50 of 445 nM[1][2].

  • CAS Number: 514200-66-9
  • MF: C97H181N37O19
  • MW: 2169.71000
  • Catalog: nAChR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sulfamethoxazole

Sulfamethoxazole is a sulfonamide bacteriostatic antibiotic.Target: AntibacterialSulfonamides are structural analogs and competitive antagonists of para-aminobenzoic acid (PABA). They inhibit normal bacterial utilization of PABA for the synthesis of folic acid, an important metabolite in DNA synthesis. The effects seen are usually bacteriostatic in nature. Folic acid is not synthesized in humans, but is instead a dietary requirement. This allows for the selective toxicity to bacterial cells (or any cell dependent on synthesizing folic acid) over human cells. Bacterial resistance to sulfamethoxazole is caused by mutations in the enzymes involved in folic acid synthesis that prevent the drug from binding to it.

  • CAS Number: 723-46-6
  • MF: C10H11N3O3S
  • MW: 253.278
  • Catalog: Bacterial
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 482.1±55.0 °C at 760 mmHg
  • Melting Point: 166 °C
  • Flash Point: 245.4±31.5 °C

Merck-22-6

Akt1/Akt2-IN-2 (compound 7) is an allosteric dual Akt1 and Akt2 inhibitor (IC50=138 nM and 212 nM, respectively). Akt1/Akt2-IN-2 increases activity of caspase-3, and inhibits viability of a number of tumor cells[1].

  • CAS Number: 612847-42-4
  • MF: C40H43N7O2
  • MW: 653.81500
  • Catalog: Caspase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

7,8-Dihydro-8-oxo-7-propargyl-3’-deoxy-3’-fluoro-xylo-guanosine

7,8-Dihydro-8-oxo-7-propargyl-3’-deoxy-3’-fluoro-xylo-guanosine is a purine nucleoside analog. 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: 2389988-56-9
  • MF: C13H14FN5O5
  • MW: 339.28
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

N-Glycolylneuraminic acid

N-Glycolylneuraminic acid is a nonhuman sialic acid molecule synthesized in pigs but not in humans. N-Glycolylneuraminic acid works as a decoy receptor of N-Glycolylneuraminic acid-binding influenza A viruses (IAVs)[1].

  • CAS Number: 1113-83-3
  • MF: C11H19NO10
  • MW: 325.269
  • Catalog: Influenza Virus
  • Density: 1.9±0.1 g/cm3
  • Boiling Point: 826.1±75.0 °C at 760 mmHg
  • Melting Point: 188-190°C
  • Flash Point: 453.4±37.1 °C

NH-(PEG3-acid)2

NH-bis(PEG3-acid) is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 1814901-04-6
  • MF: C18H35NO10
  • MW: 425.47
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ac-Phe-Lys-OH

Ac-Phe-Lys-OH is a inverted Aspartame type sweetener[1].

  • CAS Number: 14287-21-9
  • MF: C17H25N3O4
  • MW: 335.40
  • Catalog: Others
  • Density: 1.19g/cm3
  • Boiling Point: 681.2ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 365.8ºC

Hesperidin

Hesperidin (HP) is a bioflavonoid that plays a role in plant defense and is abundant in citrus species, such as grapefruit, lemon and orange. Hesperidin is used effectively as a supplemental agent in complementary therapy protocols, since it possesses biological and pharmacological properties as an effective antioxidant, anti-inflammatory, anti-carcinogenic, and anti-hypertensive agent with lipid-lowering activity[1]IC50: hesperidin (IC50=116.68μmo/L))[4]in vitro: hesperidin and linarin are two of the main constituent of Valeriana's extract exhibiting a high affinity to KATP channel, which are related to the control of Ca++ concentration and release of GABA in synaptic nerve terminal, mainly on cells of SN[2]in vivo: Hesperidin was dissolved in 1% carboxymethyl cellulose (CMC) and administered orally at a dose of 50 mg/kg for 10 consecutive days. In the control group, rats were treated with the corn oil and 1% CMC vehicle.[1]

  • CAS Number: 520-26-3
  • MF: C28H34O15
  • MW: 610.561
  • Catalog: Autophagy
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 930.1±65.0 °C at 760 mmHg
  • Melting Point: 250-255 °C (dec.)(lit.)
  • Flash Point: 305.5±27.8 °C

Fe-TMPyP

FeTMPyP is an orally active peroxynitrite (ONOO?) scavenger. FeTMPyP reduces nitrative stress and increases autophagy. FeTMPyP reduces PARP over-activation and neuroinflammation in chronic constriction injury (CCI)-induced rats, and ameliorates functional, behavioral and biochemical deficits[1][2].

  • CAS Number: 133314-07-5
  • MF: C45H62N8
  • MW: 715.027
  • Catalog: Autophagy
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

VH-032

VH-032 (VHL ligand 1) is a VHL ligand for PROTAC and potent, small molecule inhibitor of the VHL/HIF-1α interaction with Kd of 185 nM.

  • CAS Number: 1448188-62-2
  • MF: C24H32N4O4S
  • MW: 472.604
  • Catalog: Ligand for E3 Ligase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

TCS 359

TCS 359, a 2-acylaminothiophene-3-carboxamide, is a potent inhibitor of FLT3 with IC50 of 42 nM. IC50 Value: 42 nM [1]Target: Flt3in vitro: TCS 359, a 2-acylaminothiophene-3-carboxamide, is a potent inhibitor of FLT3 with IC50 of 42 nM. TCS 359 inhibits MV4-11 proliferation with IC50 of 340 nM. TCS 359 is highly selective for FLT3 against a panel of kinases [1].

  • CAS Number: 301305-73-7
  • MF: C18H20N2O4S
  • MW: 360.427
  • Catalog: FLT3
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 454.4±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 228.6±28.7 °C