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

4-Azido-L-phenylalanine

4-Azido-L-phenylalanine is an unnatural amino acid, which is used as an effective vibrational reporter of local protein environments.

  • CAS Number: 33173-53-4
  • MF: C9H10N4O2
  • MW: 206.20100
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

4-Hydroxy-1H-imidazole-5-carboxamide

Bredinin aglycone (5-Hydroxy-1H-imidazole-4-carboxamide) is a purine nucleotide analogue. Bredinin aglycone can be used to examine the efficiency of catalysts for the preparation of purine nucleotide analogues[1].

  • CAS Number: 56973-26-3
  • MF: C4H5N3O2
  • MW: 127.101
  • Catalog: Others
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 575.0±35.0 °C at 760 mmHg
  • Melting Point: 260ºC
  • Flash Point: 301.6±25.9 °C

Butalamine

Butalamine is a vasodilator[1].

  • CAS Number: 22131-35-7
  • MF: C18H28N4O
  • MW: 316.44
  • Catalog: Cardiovascular Disease
  • Density: 1.057g/cm3
  • Boiling Point: 437.5ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 218.4ºC

CTZ

Ceftezole (CTZ) is a broad-spectrum cephem antibiotic against many species of gram-positive and gram-negative bacteria. Ceftezole (CTZ) is an alpha-glucosidase inhibitor with in vivo anti-diabetic activity[1][2].

  • CAS Number: 26973-24-0
  • MF: C13H12N8O4S3
  • MW: 440.481
  • Catalog: Bacterial
  • Density: 2.1±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: 155ºC (dec.)
  • Flash Point: N/A

EGFR-IN-25

EGFR-IN-25 is a potent EGFR inhibitor with IC50s of 9 nM and 60 nM for BaF3 cells (EGFR DEL19/T790M/C797S) and A431 cells (WT), respectively[1].

  • CAS Number: 2749562-63-6
  • MF: C34H43N9O2
  • MW: 609.76
  • Catalog: EGFR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CDK9-IN-14

CDK9-IN-14 is a potent and selective CDK9 inhibitor with IC50 of 6.92 nM. CDK9-IN-14 has a relatively strong inhibitory effect on MV4;11 cells and in vivo tumor models, and has a good selectivity and a low toxicity and few side effects[1].

  • CAS Number: 2650640-17-6
  • MF: C21H23F2N3O4
  • MW: 419.42
  • Catalog: CDK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Thio-ITP

Thio-ITP (6-Thioinosine 5′-triphosphate) is a RNA polymerase activities competitive inhibitor[1].

  • CAS Number: 27652-34-2
  • MF: C10H15N4O13P3S
  • MW: 524.23
  • Catalog: DNA/RNA Synthesis
  • Density: 2.56g/cm3
  • Boiling Point: 981.2ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 547.2ºC

[pTyr5] EGFR 988-993

[pTyr5] EGFR (988-993) is derived from the autophosphorylation site (Tyr992) of epidermal growth factor receptor (EGFR 988-993). [pTyr5] EGFR (988-993) is often complexed with the catalytically inactive protein-tyrosine phosphate 1B (PTP1B)[1].

  • CAS Number: 159453-08-4
  • MF: C31H45N6O17P
  • MW: 804.69
  • Catalog: Phosphatase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Urinary Trypsin Inhibitor Fragment

Urinary Trypsin Inhibitor Fragment is a fragment derived from urinary trypsin inhibitor by proteolysis. Urinary Trypsin Inhibitor Fragment can inhibit tumor cell invasion by limited proteolysis[1].

  • CAS Number: 164859-77-2
  • MF: C24H18O8
  • MW: 434.395
  • Catalog: Ser/Thr Protease
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 657.0±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 227.9±25.0 °C

Fabomotizole (hydrochloride)

Fabomotizole Hcl (CM346 Hcl) is an anxiolytic drug; produces anxiolytic and neuroprotective effects without any sedative or muscle relaxant actions.IC50 value:Target: anxiolytic agent Afobazole's mechanism of action remains poorly defined however, with GABAergic, NGF and BDNF release promoting, MT1 receptor antagonism, MT3 receptor antagonism, and sigma agonism suggested as potential mechanisms. Afobazole was shown to inhibit MAO-A reversibly and there might be also some involvement with serotonin receptors. Afobazole has found little clinical use outside of Russia and has not been evaluated by the FDA.

  • CAS Number: 173352-39-1
  • MF: C15H22ClN3O2S
  • MW: 343.87200
  • Catalog: Neurological Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PI3K/mTOR Inhibitor-4

PI3K/mTOR Inhibitor-4 is an orally active pan-class I PI3K/mTOR inhibitor. PI3K/mTOR Inhibitor-4 has enzymatic inhibition activity for PI3Kα, PI3Kγ, PI3Kδ and mTOR with IC50 values of 0.63 nM, 22 nM, 9.2 nM and 13.85 nM, respectively. PI3K/mTOR Inhibitor-4 can be used for the research of cancer[1].

  • CAS Number: 2361215-32-7
  • MF: C27H22FN3O6S
  • MW: 535.54
  • Catalog: mTOR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

1-Bromodecane-d3

1-Bromodecane-d3 is the deuterium labeled 1-Bromodecane[1].

  • CAS Number: 284474-47-1
  • MF: C10H18BrD3
  • MW: 224.19600
  • Catalog: Others
  • Density: 1.080 g/mL at 25ºC
  • Boiling Point: 238ºC(lit.)
  • Melting Point: N/A
  • Flash Point: 94ºC

Fmoc-Met-OH-13C5,15N

Fmoc-Met-OH-13C5,15N is a 15N-labeled and 13C-labled Fmoc-L-Val-OH[1].

  • CAS Number: 1217437-64-3
  • MF: C1513C5H2115NO4S
  • MW: 377.41
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

3,3'-Diindolylmethane

3,3'-Diindolylmethane is a strong, pure androgen receptor (AR) antagonist.

  • CAS Number: 1968-05-4
  • MF: C17H14N2
  • MW: 246.307
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 504.8±30.0 °C at 760 mmHg
  • Melting Point: 167 °C
  • Flash Point: 232.5±15.8 °C

Filapixant

Filapixant is a purinoreceptor antagonist extracted from patent WO2016091776A1, example 348. Filapixant is the active reference substance of Eliapixant[1].

  • CAS Number: 1948232-63-0
  • MF: C24H26F3N5O3S
  • MW: 521.56
  • Catalog: P2X Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ODN 2007

ODN 2007, a class B CpG ODN (oligodeoxynucleotide), is a Toll-like receptor (TLR) ligand. ODN 2007 can be used as an immunomodulator, vaccine adjuvant, and enhance immune responses in mammals, fish, and humans. ODN 2007 sequence: 5'-TCGTCGTTGTCGTTTTGTCGTT-3'[1][2][3].

  • CAS Number: 455348-63-7
  • MF:
  • MW:
  • Catalog: Toll-like Receptor (TLR)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Hhal Methyltransferase

Hhal Methyltransferase (Hhal) is a DNA methyltransferase (recognition sequence: GCGC)[1].

  • CAS Number: 91448-96-3
  • MF:
  • MW:
  • Catalog: DNA Methyltransferase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

taxiphyllin

Taxiphyllin (Compound 3) is a compound isolated from ethanol extract of the aerial parts of Hydrangea macrophylla[1].

  • CAS Number: 21401-21-8
  • MF: C14H17NO7
  • MW: 311.287
  • Catalog: Others
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 586.7±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 308.6±30.1 °C

Dodecyl octaethylene glycol ether

Octaethylene glycol monododecyl ether (C12E8) is an non-ionic detergent that can be used for membrane protein extraction. Octaethylene glycol monododecyl ether can solubilize the viral membrane of intact influenza virus[1][2].

  • CAS Number: 3055-98-9
  • MF: C28H58O9
  • MW: 538.755
  • Catalog: Influenza Virus
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 585.5±45.0 °C at 760 mmHg
  • Melting Point: 30ºC
  • Flash Point: 307.9±28.7 °C

N-Boc-cis-4-hydroxy-D-proline methyl ester

N-Boc-cis-4-hydroxy-D-proline methyl ester is a non-cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs). N-Boc-cis-4-hydroxy-D-proline methyl ester is also a alkyl chain-based PROTAC linker that can be used in the synthesis of PROTACs[1

  • CAS Number: 114676-69-6
  • MF: C11H19NO5
  • MW: 245.27200
  • Catalog: ADC Linker
  • Density: 1.216g/cm3
  • Boiling Point: 335.2ºC at 760mmHg
  • Melting Point: 80 °C
  • Flash Point: 156.6ºC

N6-benzoyl-3'-fluoro-2',3'-dideoxyadenosine

N6-Benzoyl-3'-fluoro-2',3'-dideoxyadenosine 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: 122712-71-4
  • MF: C17H16FN5O3
  • MW: 357.34
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2-aminofluorene

2-Aminofluorene is a synthetic chemical insecticide. 2-Aminofluorene is a genotoxin. 2-Aminofluorene can be used in the research of DNA adduct structure, DNA repair, carcinogenesis, and mutagenesis[1][4].

  • CAS Number: 153-78-6
  • MF: C13H11N
  • MW: 181.233
  • Catalog: DNA/RNA Synthesis
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 379.3±21.0 °C at 760 mmHg
  • Melting Point: 124-128 °C(lit.)
  • Flash Point: 204.8±17.4 °C

Valerenic acid

Valerenic acid ((-)-Valerenic Acid), a sesquiterpenoid, is an orally active positive allosteric modulator of GABAA receptors. Valerenic acid is also a partial agonist of the 5-HT5a receptor. Valerenic acid mediates anxiolytic activity via GABAA receptors containing the β3 subunit. Valerenic acid also exhibits potent antioxidant properties[1][2][3].

  • CAS Number: 3569-10-6
  • MF: C15H22O2
  • MW: 234.334
  • Catalog: 5-HT Receptor
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 374.5±21.0 °C at 760 mmHg
  • Melting Point: 134-139ºC
  • Flash Point: 274.2±13.0 °C

Dehydrosimvastatin

Anhydrosimvastatin (Impurity C) is an impurity of Simvastatin. Simvastatin is a competitive inhibitor of HMG-CoA reductase[1].

  • CAS Number: 210980-68-0
  • MF: C25H36O4
  • MW: 400.551
  • Catalog: Others
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 536.8±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 265.6±28.5 °C

GDC-0927

GDC-0927 (SRN-927) is a novel, potent, non-steroidal, orally bioavailable, selective estrogen receptor antagonist.

  • CAS Number: 1642297-01-5
  • MF: C28H28FNO4
  • MW: 461.52
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

[Val4] Angiotensin III

[Val4] Angiotensin III is an angiotension III peptide. [Val4] Angiotensin III is a potent full agonist of Gαq and βarr2 response, with pEC50 values of 8.31 and 8.44, respectively[1].

  • CAS Number: 100900-28-5
  • MF: C45H64N12O9
  • MW: 917.06500
  • Catalog: Cardiovascular Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

L-Fucitol

L-Fucitol (1-Deoxy-D-galactitol) is a sugar alcohol isolated from Nutmeg[1].

  • CAS Number: 13074-06-1
  • MF: C6H14O5
  • MW: 166.17200
  • Catalog: Others
  • Density: 1.424g/cm3
  • Boiling Point: 468ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 244.3ºC

L-Glutamine-13C5,d5,15N2

L-Glutamine-13C5,d5,15N2 (L-Glutamic acid 5-amide-13C5,d5,15N2) is the deuterium, 13C-, and 15-labeled L-Glutamine. L-Glutamine (L-Glutamic acid 5-amide) is a non-essential amino acid present abundantly throughout the body and involved in many metabolic processes. L-Glutamine provides a source of carbons for oxidation in some cells[1][2].

  • CAS Number: 2123439-02-9
  • MF: 13C5H5D515N2O3
  • MW: 158.13
  • Catalog: Ferroptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Antiviral agent 25

Antiviral agent 25 (compound 6g) is a new non-peptide analog covalent inhibitor of SARS-CoV-2 3CLpro. Antiviral agent 25 has a strong inhibitory effect on SARS-CoV-2 3CLpro and SARS-CoV-2 PLpro with IC50 values of 0.118 µM, 0.448 µM, respectively. Antiviral agent 25 has antiviral effect on SARS-CoV-2 with an EC50 value of 7.249 µM[1].

  • CAS Number: 2761367-25-1
  • MF: C15H12FN3S
  • MW: 285.34
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Diquafosol Tetrasodium

Diquafosol tetrasodium is a P2Y2 receptor agonist that stimulates fluid and mucin secretion on the ocular surface, as a topical treatment of dry eye disease.

  • CAS Number: 211427-08-6
  • MF: C18H22N4Na4O23P4
  • MW: 878.23
  • Catalog: P2Y Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A