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

Rubicordifolin

Rubicordifolin is a natural product that can be isolated from Rubia cordifolia. Rubicordifolin inhibits the growth of sarcoma ascites in mice. Rubicordifolin has significant cytotoxic activity both in vitro and in vivo[1].

  • CAS Number: 849699-55-4
  • MF: C33H28O9
  • MW: 568.57
  • Catalog: Cancer
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 795.7±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 435.0±32.9 °C

I-BET567

I-BET567 is a potent and oral active inhibitor of pan-BET candidate with pIC50s of 6.9 and 7.2 for BRD4 BD1 and BD2, respectively. I-BET567 has been demonstrated efficacy in mouse models of oncology and inflammation[1].

  • CAS Number: 1887237-54-8
  • MF: C17H18ClN5O2
  • MW: 359.81
  • Catalog: Epigenetic Reader Domain
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Desethyl-desisopropyl Atrazine-C3

6-Chloro-1,3,5-triazine-2,4-diamine-13C3 is the 13C3 labeled 6-Chloro-1,3,5-triazine-2,4-diamine.

  • CAS Number: 1216850-33-7
  • MF: C3H4ClN5
  • MW: 148.52800
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

VUF 10166

VUF10166 is a potent and high-affinity 5-HT3 receptor antagonist, with Ki values of 0.04 nM (5-HT3A) and 22 nM (5-HT3AB). VUF10166 inhibits 5-HT-induced responses at 5-HT3A and 5-HT3AB receptors at nanomolar concentrations. At 5-HT3 receptor, VUF10166 at higher concentrations also acts as a partial agonist, with an EC50 of 5.2 μM[1].

  • CAS Number: 155584-74-0
  • MF: C13H15ClN4
  • MW: 262.738
  • Catalog: 5-HT Receptor
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 389.6±42.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 189.4±27.9 °C

(R)-Propranolol hydrochloride

(R)-Propranolol hydrochloride is a less active enantiomer of the β-adrenoceptor antagonist propranolol (HY-B0573). Propranolol is a nonselective β-adrenergic receptor (βAR) antagonist, has high affinity for the β1AR and β2AR with Ki values of 1.8 nM and 0.8 nM, respectively[1].

  • CAS Number: 13071-11-9
  • MF: C16H22ClNO2
  • MW: 295.80400
  • Catalog: Adrenergic Receptor
  • Density: N/A
  • Boiling Point: 434.9ºC at 760 mmHg
  • Melting Point: 196-198 °C(lit.)
  • Flash Point: 216.8ºC

H-Gly-Gly-AMC hydrochloride salt

Gly-Gly-AMC is a fluorogenic peptide substrate. Gly-Gly-AMC can be used to assess bacterial protease activity of P. aeruginosa and S. aureus[1][2].

  • CAS Number: 208645-74-3
  • MF: C14H15N3O4
  • MW: 289.28700
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

isomucronulatol 7-O-glucoside

7,2′-Dihydroxy-3′,4′-dimethoxyisoflavan 7-O-β-D-glucoside is a bioactive isoflavonoid isolated from Radix Astragali (Huangqi)[1].

  • CAS Number: 94367-43-8
  • MF: C23H28O10
  • MW: 464.462
  • Catalog: Others
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 641.5±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 341.8±31.5 °C

N-Acetyl-L-leucine-N-methylamide-d16

(2S)-2-(Acetylamino)-N,4-dimethylpentanamide-d16 is the deuterium labeled (2S)-2-(Acetylamino)-N,4-dimethylpentanamide[1].

  • CAS Number: 1276197-56-8
  • MF: C9H2D16N2O2
  • MW: 202.35
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PU-WS13

PU-WS13 is a selective Grp94 inhibitor, with an EC50 of 0.22 μM.

  • CAS Number: 1454619-14-7
  • MF: C17H20Cl2N6S
  • MW: 411.352
  • Catalog: HSP
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 617.4±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 327.2±34.3 °C

alpha-Bisabolol

alpha-Bisabolol is a nontoxic sesquiterpene alcohol present in natural essential oil, with anticancer activity. alpha-Bisabolol exerts selective anticancer effect on A549 NSCLC cells (IC50=15 μM) via induction of cell cycle arrest, mitochondrial apoptosis and inhibition of PI3K/Akt signalling pathways. alpha-Bisabolol also strongly induces apoptosis in glioma cells[1][2].

  • CAS Number: 515-69-5
  • MF: C15H26O
  • MW: 222.366
  • Catalog: Apoptosis
  • Density: 0.9±0.1 g/cm3
  • Boiling Point: 314.5±11.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 113.2±15.6 °C

1-Pentadecanoyl-2-oleoyl-sn-glycero-3-phosphoinositol-d7 ammonium

1-Pentadecanoyl-2-oleoyl-sn-glycero-3-phosphoinositol-d7 (ammonium) is deuterium labeled 1-Pentadecanoyl-2-oleoyl-sn-glycero-3-phosphoinositol (ammonium).

  • CAS Number: 2260669-44-9
  • MF: C42H75D7NO13P
  • MW: 847.12
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ATX inhibitor 13

ATX inhibitor 13 (10c) is an orally active and potent ATX inhibitor, with an IC50 of 3.4 nM. ATX inhibitor 13 inhibits proliferation and migration, and induces apoptosis and G2 phase arrest in RAW264.7 cells. ATX inhibitor 13 suppresses tumor cell colony formation[1].

  • CAS Number: 2485779-34-6
  • MF: C31H35Cl2N5O3
  • MW: 596.55
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

FGFR4-IN-12

FGFR4-IN-12 (Compound A34) is a potent inhibitor of FGFR4. FGFR4-IN-12 exhibits improved FGFR4 inhibitory capability and selectivity and excellent anti-proliferative activities against FGFR4-dependent HCC cell lines. FGFR4-IN-12 has the potential for the research of cancer diseases[1].

  • CAS Number: 2423992-63-4
  • MF: C34H32Cl2N4O6
  • MW: 663.55
  • Catalog: FGFR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

a-D-Xylofuranose,1,2-O-(1-methylethylidene)-, 5-benzoate

5-O-Benzoyl-1,2-di-O-isopropylidene-alpha-D-xylofuranose 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: 6022-96-4
  • MF: C15H18O6
  • MW: 294.30
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 432.0±40.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 159.2±20.8 °C

20-HEDE

WIT 002 is an antagonist of 20-hydroxyeicosatetraenoic acid (20-HETE).

  • CAS Number: 240427-90-1
  • MF: C20H36O3
  • MW: 324.5
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BIO-32546

BIO-32546 (example 12b, S-isomer) is an autotaxin (ATX) modulator, extracted from the patent US20170158687A1[1].

  • CAS Number: 1548743-66-3
  • MF: C28H31F6NO3
  • MW: 543.54100
  • Catalog: Phosphodiesterase (PDE)
  • Density: 1.328±0.06 g/cm3(Predicted)
  • Boiling Point: 586.9±50.0 °C(Predicted)
  • Melting Point: N/A
  • Flash Point: N/A

BM-1074

BM-1074 is a potent and specific Bcl-2/Bcl-xL inhibitor with Ki values of < 1 nM and IC50 values of 1.8 nM and 6.9 nM for Bcl-2 and Bcl-xL, respectively. BM-1074 induces apoptosis, and exhibits antiproliferative activity against four small-cell lung cancer cell lines (H146, H1963, H187 and H1417) with IC50 values of 1-2 nM[1].

  • CAS Number: 1391108-10-3
  • MF: C11H9F3O2S
  • MW: 262.24800
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Imidaprilate

Imidaprilate is an active metabolite of TA-6366, acts as a potent angiotensin converting enzyme (ACE) inhibitor, with an IC50 of 2.6 nM, and is used in the research of hypertensive disease.

  • CAS Number: 89371-44-8
  • MF: C18H23N3O6
  • MW: 377.39200
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 180-182ºC
  • Flash Point: N/A

CEF14, EBV Rta Protein 28-37

CEF14, EBV Rta Protein (28-37) is the HLA A24-restricted epitope from Epstein-Barr Virus Rta protein (28-37).

  • CAS Number: 216862-58-7
  • MF: C55H81N13O18S
  • MW: 1244.37
  • Catalog: Infection
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MK-0429

MK-0429 is a potent integrin antagonist with IC50s of 12.2 nM (α5β1 integrin) and 2.8 nM (αvβ3 integrin), respectively.

  • CAS Number: 227963-15-7
  • MF: C23H29N5O4
  • MW: 439.508
  • Catalog: Integrin
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 699.0±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 376.5±31.5 °C

I-BRD9

I-BRD9 is the first selective cellular chemical probe for BRD9 (pIC50=7.3).IC50 value: 7.3 (pIC50) [1]Target: BRD9in vitro: I-BRD9 is a selective cell active chemical probe for bromodomain containing protein 9 inhibition. I-BRD9, the first selective cellular chemical probe for bromodomain-containing protein 9 (BRD9). I-BRD9 is identified through structure-based design, leading to greater than 700-fold selectivity over the BET family and 200-fold over the highly homologous bromodomain-containing protein 7 (BRD7). I-BRD9 is used to identify genes regulated by BRD9 in Kasumi-1 cells involved in oncology and immune response pathways and to the best of our knowledge, represents the first selective tool compound available to elucidate the cellular phenotype of BRD9 bromodomain inhibition.

  • CAS Number: 1714146-59-4
  • MF: C22H22F3N3O3S2
  • MW: 497.554
  • Catalog: Epigenetic Reader Domain
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 721.0±70.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 389.9±35.7 °C

Endomorphin 2 TFA

Endomorphin 2 TFA, a high affinity, highly selective agonist of the μ-opioid receptor, displays reasonable affinities for kappa3 binding sites, with Ki value between 20 and 30 nM[1].

  • CAS Number: 1276124-00-5
  • MF: C34H38F3N5O7
  • MW: 685.69
  • Catalog: Opioid Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PSMA-617

PSMA-617 is a high potent prostate-specific membrane antigen (PSMA) inhibitor, with a Ki of 0.37 nM.

  • CAS Number: 1702967-37-0
  • MF: C49H71N9O16
  • MW: 1042.14
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Gepefrine

Gepefrine is an orally active pressor agent and sympathomimetic agent. Gepefrine improves the early orthostatic disregulation of the arterial pressure[1][2][3].

  • CAS Number: 18840-47-6
  • MF: C9H13NO
  • MW: 151.20600
  • Catalog: Cardiovascular Disease
  • Density: 1.07g/cm3
  • Boiling Point: 281ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 123.7ºC

DG(18:0/18:0/0:0)[rac]

1,2-Distearoyl-sn-glycerol (DSG; 1,2-Dioctadecanoyl-sn-glycerol) acts as an internal standard for Separation and identification of molecular species of 1,2-diacyl-sn-glycerol (DAG)[1].

  • CAS Number: 10567-21-2
  • MF: C39H76O5
  • MW: 625.018
  • Catalog: Others
  • Density: 0.9±0.1 g/cm3
  • Boiling Point: 662.3±22.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 181.8±15.8 °C

L-Alanine, N-[(S)-(4-nitrophenoxy)phenoxyphosphinyl]-, 1-methylethyl ester

L-Alanine, N-[(S)-(4-nitrophenoxy)phenoxyphosphinyl]-, 1-methylethyl ester is an alanine derivative[1].

  • CAS Number: 1256490-31-9
  • MF: C18H21N2O7P
  • MW: 408.34200
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

5-Deoxypulchelloside I

5-Deoxypulchelloside I is a magnoside glycoside that can be isolated from the aerial parts of the Lamiaceae plant Eremostachys laciniata[1].

  • CAS Number: 115075-53-1
  • MF: C17H26O11
  • MW: 406.38200
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Neogambogic acid

Neogambogic acid, an active ingredient in garcinia, induces apoptosis and has anticancer effect. Neogambogic acid has significant inhibitory activity toward methicillin-resistant Staphylococcus aureus (MRSA)[1][2].

  • CAS Number: 93772-31-7
  • MF: C38H46O9
  • MW: 646.766
  • Catalog: Bacterial
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 810.3±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 250.2±27.8 °C

Ingenol-5,20-acetonide-3-O-angelate

Ingenol-5,20-acetonide-3-O-angelate is a natural compound.

  • CAS Number: 87980-68-5
  • MF: C28H38O6
  • MW: 470.598
  • Catalog: Others
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 582.2±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 187.4±23.6 °C

DFTamP1

DFTamP1 is an antimicrobial peptide against Staphylococcus aureus USA300 activity (MIC is 3.1 μM)[1].

  • CAS Number: 2415653-64-2
  • MF: C64H118N14O16
  • MW: 1339.71
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A