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

5'-O-DMTr-2'-O-methyl-N6-methyl adenosine 3'-CED phosphoramidite

5'-O-DMTr-2'-O-methyl-N6-methyl adenosine 3'-CED phosphoramidite is an adenosine analog. Adenosine analogs mostly act as smooth muscle vasodilators and have also been shown to inhibit cancer progression. Its popular products are adenosine phosphate, Acadesine (HY-13417), Clofarabine (HY-A0005), Fludarabine phosphate (HY-B0028) and Vidarabine (HY-B0277)[1].

  • CAS Number: 2348385-04-4
  • MF: C42H52N7O7P
  • MW: 797.88
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Fmoc-NH-PEG8-NHS ester

Fmoc-NH-PEG8-NHS ester is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 1334170-03-4
  • MF: C38H52N2O14
  • MW: 760.825
  • Catalog: PROTAC Linker
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Oxyclozanide

Oxyclozanide is a salicylanilide anthelmintic drug that mainly acts by uncoupling oxidative phosphorylation in flukes.

  • CAS Number: 2277-92-1
  • MF: C13H6Cl5NO3
  • MW: 401.457
  • Catalog: Parasite
  • Density: 1.8±0.1 g/cm3
  • Boiling Point: 446.0±45.0 °C at 760 mmHg
  • Melting Point: 205 - 210ºC
  • Flash Point: 223.5±28.7 °C

Relaxin H2 (human) trifluoroacetate salt

Serelaxin (RLX-030), a recombinant form of human gene-2 relaxin targeting the RLN receptor, is a vasoactive peptide hormone with an antifibrotic activity[1][2][3].

  • CAS Number: 99489-94-8
  • MF: C256H408N74O74S8
  • MW: 5963
  • Catalog: Cardiovascular Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Belumosudil mesylate

Belumosudil mesylate (KD025 mesylate) is a selective inhibitor of ROCK2 with IC50s of 105 nM and 24 µM for ROCK2 and ROCK1, respectively. Anti-fibrotic properties[1].

  • CAS Number: 2109704-99-4
  • MF: C27H28N6O5S
  • MW: 548.61
  • Catalog: ROCK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Xanthosine-5'-Triphosphate

Xanthosine-5'-Triphosphate (5'-XTP), a nucleotide, is produced by deamination of purine bases[1].

  • CAS Number: 6253-56-1
  • MF: C10H15N4O15P3
  • MW: 524.16500
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Pterosin B

Pterosin B, a indanone found in bracken fern (Pteridium aquilinum), is an inhibitor of salt-inducible kinase 3 (Sik3) signaling. Pterosin B prevents chondrocyte hypertrophy and osteoarthritis in mice by inhibiting Sik3[1][2].

  • CAS Number: 34175-96-7
  • MF: C14H18O2
  • MW: 218.292
  • Catalog: Salt-inducible Kinase (SIK)
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 396.5±41.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 169.3±20.2 °C

MK-2461

MK-2461 is a novel ATP-competitive multitargeted inhibitor of activated c-Met with a mean IC50 of 2.5 nM.IC50 value: 2.5 nM [1]Target: c-Metin vitro: MK-2461 inhibits the kinase activity of human c-Met with a mean IC50 of 2.5 nM in the presence of 50 μM ATP. Ron (IC50 = 7 nM) and Flt1 (IC50 = 10 nM) are inhibited by MK-2461 with similar potencies to c-Met (IC50 = 2.5 nM), whereas nine other kinases, including FGFR1, FGFR2, FGFR3, PDGFRβ, KDR, Flt3, Flt4, TrkA, and TrkB, are found to be 8- to 30-fold less sensitive to MK-2461 than c-Met. [1]in vivo: MK-2461 inhibits c-Met signaling and tumor growth in tumor xenograft models in mice.[1]

  • CAS Number: 917879-39-1
  • MF: C24H25N5O5S
  • MW: 495.551
  • Catalog: c-Met/HGFR
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 732.4±70.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 396.7±35.7 °C

Competence-Stimulating Peptide-12261

Competence-Stimulating Peptide-12261, a sixteen peptide, is a fragment of competence-stimulating peptide. Competence-Stimulating Peptide, a quorum-sensing molecule, competence-stimulating peptide (CSP) which inhibits germ tube (GT) formation[1].

  • CAS Number: 1235882-91-3
  • MF: C100H149N31O23
  • MW: 2153.45
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Pachypodol

Pachypodol exerts antioxidant and cytoprotective effects in HepG2 cells[1].Pachypodol inhibits the growth of CaCo 2 colon cancer cell line in vitro(IC50 = 185.6 mM)[2].

  • CAS Number: 33708-72-4
  • MF: C18H16O7
  • MW: 344.32
  • Catalog: Cancer
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 598.8±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 220.7±23.6 °C

H-BETA-CHLORO-DL-ALA-OH HCL

2-Amino-3-chloropropanoic acid hydrochloride is an alanine derivative[1].

  • CAS Number: 35401-46-8
  • MF: C3H7Cl2NO2
  • MW: 159.999
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Gluten Exorphin A5

Gluten Exorphin A5 is a fragment from wheat gluten with neuroprotective effects. Gluten Exorphin A5 produces various effects not only in the peripheral nervous systems but also in the central nervous system[1].

  • CAS Number: 142155-24-6
  • MF: C29H37N5O9
  • MW: 599.632
  • Catalog: Neurological Disease
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 1096.1±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 616.7±34.3 °C

Irisolidone

Irisolidone is a major isoflavone found in Pueraria lobata flowers. Irisolidone exhibits potent hepatoprotective activity. Irisolidone shows the high efficacy for volume-regulated anion channels (VRAC) blockade[1][2][3].

  • CAS Number: 2345-17-7
  • MF: C17H14O6
  • MW: 314.28900
  • Catalog: Chloride Channel
  • Density: 1.402g/cm3
  • Boiling Point: 565.5ºC at 760mmHg
  • Melting Point: 192 ºC (methanol )
  • Flash Point: 212.3ºC

Norbornene-NHS

Norbornene-NHS is a click chemistry reagent containing an azide group. Norbornene-NHS is a dienophile for conjugation via copper-free Click reaction with tetrazines[1].

  • CAS Number: 1888335-48-5
  • MF: C12H13NO5
  • MW: 251.24
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

5-(N,N-Dimethyl)amiloride hydrochloride

Dimethylamiloride is a specific antiporter inhibitor[1].

  • CAS Number: 1214-79-5
  • MF: C8H12ClN7O
  • MW: 257.68
  • Catalog: Others
  • Density: 1.68g/cm3
  • Boiling Point: 543.6ºC at 760mmHg
  • Melting Point: 216-217°C(lit.)
  • Flash Point: 282.5ºC

AM 4113

CB1 antagonist 2 is caimabinoid 1 (CB1) antagonist extracted from patent WO2016184310A1, compound 3, inhibits CB1 in vivo with an IC50 of 25.5 nM[1].

  • CAS Number: 614726-85-1
  • MF: C17H12Cl3N3O
  • MW: 380.66
  • Catalog: Cannabinoid Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Influenza HA 307-319

Influenza HA (307-319) is 13 amino acids 307 to 319 fragment of Influenza HA. Influenza HA is a glycoprotein found on the surface of influenza viruses[1].

  • CAS Number: 528526-85-4
  • MF: C69H118N18O19
  • MW: 1503.78
  • Catalog: Infection
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SARS-CoV-2-IN-33

SARS-CoV-2-IN-33 (compound 3m) is a COVID-19 inhibitor. SARS-CoV-2-IN-33 shows anti-proliferative activity against cancer cells. SARS-CoV-2-IN-33 exhibits comparatively good binding affinity (-8.0 Kcal/mole) to COVID-19 main protease (Mpro) (PDB ID: 6LU7). SARS-CoV-2-IN-33 can be used in studies of cancer and COVID-19[1].

  • CAS Number: 299919-79-2
  • MF: C30H30N4O5
  • MW: 526.58
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SIRT2-IN-10

SIRT2-IN-10 (Compound 12) is a potent SIRT2 inhibitor with an IC50 of 1.3 μM. SIRT2-IN-10 can be used for the research of cancer and neurodegenerative disease[1].

  • CAS Number: 296793-09-4
  • MF: C28H21N5OS
  • MW: 475.56
  • Catalog: Sirtuin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

VHL Ligand 3

A VHL ligand for PROTAC.

  • CAS Number: 1448189-98-7
  • MF: C27H38N4O5S
  • MW: 530.679
  • Catalog: Ligand for E3 Ligase
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 755.7±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 410.9±32.9 °C

Acrizanib

Acrizanib is a VEGFR-2 inhibitor, with an IC50 of 17.4 nM for BaF3-KDR.

  • CAS Number: 1229453-99-9
  • MF: C20H18F3N7O2
  • MW: 445.40
  • Catalog: VEGFR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2'-Deoxy-2'-fluoro-D-inosine

2’-Deoxy-2’-fluoroinosine 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: 80049-87-2
  • MF: C10H11FN4O4
  • MW: 270.22
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: 2.01g/cm3
  • Boiling Point: 682.1ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 366.3ºC

Boc-NH-PEG3-sulfonic acid

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

  • CAS Number: 1817735-32-2
  • MF: C13H27NO8S
  • MW: 357.42
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

1-Bromoheptane-d7

1-Bromoheptane-d7 is the deuterium labeled 1-Bromoheptane[1].

  • CAS Number: 1219802-55-7
  • MF: C7H15Br
  • MW: 179.098
  • Catalog: Others
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 178.7±3.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 60.6±0.0 °C

Mal-PEG4-acid

Mal-PEG4-acid is a PEG-based PROTAC linker can be used in the synthesis of PROTACs.

  • CAS Number: 518044-41-2
  • MF: C15H23NO8
  • MW: 345.34500
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Propanil

Propanil is a widely used contact herbicide, mainly use in rice production.

  • CAS Number: 709-98-8
  • MF: C9H9Cl2NO
  • MW: 218.08000
  • Catalog: Others
  • Density: 1.25
  • Boiling Point: 369.9ºC at 760 mmHg
  • Melting Point: 92-93°C
  • Flash Point: 100 °C

Dermaseptin-B3

Dermaseptin-B3 inhibits the growth of Gram-positive and Gram-negative bacteria (MIC: 1.3, 2.3, 5.0, 2.6, 2.3 μM for S. aureus, P. aeruginosa, P. aeruginosa, E. (ATCC 25922), E. (54127) respectively). Dermaseptin-B3 also inhibits tumor cell proliferation[1][2].

  • CAS Number: 210890-55-4
  • MF: C127H219N35O32S
  • MW: 2780.38
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Gomisin S

Gomisin S is a dibenzocyclooctadiene lignan[1].

  • CAS Number: 119239-49-5
  • MF: C23H30O7
  • MW: 418.480
  • Catalog: Others
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 594.3±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 313.2±30.1 °C

L-tert-Leucine

(S)-2-amino-3,3-dimethylbutanoic acid is a leucine derivative[1].

  • CAS Number: 20859-02-3
  • MF: C6H13NO2
  • MW: 131.173
  • Catalog: Others
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 217.7±23.0 °C at 760 mmHg
  • Melting Point: 300 °C
  • Flash Point: 85.5±22.6 °C

PAC

PAC comprises an antibody conjugated via a linker to a PROTAC. PAC extracts from patent WO2017201449A1, compound PAC1. PAC is a more marked estrogen receptor-alpha (ERα) degrader compared to PROTAC (without Ab).

  • CAS Number: 2158322-33-7
  • MF: C94H107N13O16
  • MW: 1674.93
  • Catalog: PROTAC-linker Conjugate for PAC
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A