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

Enpp-1-IN-4

Enpp-1-IN-4 is a potent inhibitor of ectonucleotide pyrophosphatase-phosphodiesterase 1 (enpp-1). Enpp-1-IN-4 has the potential for the research of cancer diseases (extracted from patent WO2019177971A1, compound 1)[1].

  • CAS Number: 2376600-89-2
  • MF: C19H19N5O5S
  • MW: 429.45
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sulfotransferase-IN-1

The first selective, cell-permeable inhibitor of GAG sulfotransferases with IC50 of 2.0-2.5 uM ; displays 8- to 18-fold greater specificity for GAG sulfotransferases compared to cytosolic sulfotransferases; decreases chondroitin sulfate-E (CS-E) and overall sulfation levels on cell-surface and secreted chondroitin sulfate proteoglycans (CSPGs), and reverses CSPG-mediated inhibition of axonal growth.

  • CAS Number: 2158198-77-5
  • MF: C17H11BrCl2N2O3
  • MW: 442.09
  • Catalog: Neurological Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

hCAXII-IN-1

These compounds show selective inhibition on tumor related subtypes HCA IX and XII, and are also considered as the leading molecules for the development of future cancer therapeutic drugs based on new mechanisms of action.

  • CAS Number: 2451479-66-4
  • MF: C20H17NO5
  • MW: 351.35
  • Catalog: Carbonic Anhydrase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

H-DL-Phe-OtBu.HCl

H-DL-Phe-OtBu.HCl is a phenylalanine derivative[1].

  • CAS Number: 75898-47-4
  • MF: C13H20ClNO2
  • MW: 257.756
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

H-D-Ala-Obzl.Tos.OH

H-D-Ala-OBzl.TosOH is an alanine derivative[1].

  • CAS Number: 41036-32-2
  • MF: C17H21NO5S
  • MW: 351.417
  • Catalog: Others
  • Density: N/A
  • Boiling Point: 256.5ºC at 760 mmHg
  • Melting Point: 115ºC
  • Flash Point: 119.6ºC

L-Phe(3-OH)-OMe.Hcl

(S)-Methyl 2-amino-3-(3-hydroxyphenyl)propanoate hydrochloride is a phenylalanine derivative[1].

  • CAS Number: 34260-72-5
  • MF: C10H14ClNO3
  • MW: 231.67600
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

lurasidone

Lurasidone is an antagonist of both dopamine D2 and 5-HT7 with IC50s of 1.68 and 0.495 nM, respectively. Lurasidone is also a partial agonist of 5-HT1A receptor with an IC50 of 6.75 nM.

  • CAS Number: 367514-87-2
  • MF: C28H36N4O2S
  • MW: 492.676
  • Catalog: 5-HT Receptor
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 623.4±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 330.8±31.5 °C

DNA-PK-IN-2

DNA-PK-IN-2 is a potent inhibitor of DNA-PK. DNA-dependent protein kinase (DNA-PK) is a DNA-PK enzyme complex composed of Ku70/Ku80 heterodimer and DNA-dependent protein kinase catalytic subunit (DNA-PKcs). DNA-PK-IN-2 has the potential for the research of cancer diseases (extracted from patent WO2021136462A1, compound 1)[1].

  • CAS Number: 2665720-22-7
  • MF: C20H23N5O3
  • MW: 381.43
  • Catalog: DNA-PK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Vitisin B

Vitisin B (Compound 5) is iaolated from from Vitis thunbergii var. taiwaniana. Vitisin B has anti-inflammatory effects against lipopolysaccharide(LPS)-induced arthritis[1].

  • CAS Number: 142449-90-9
  • MF: C56H42O12
  • MW: 906.93
  • Catalog: Inflammation/Immunology
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

N-(tert-Butoxycarbonyl)-S-butylhomocysteine

N-(tert-Butoxycarbonyl)-S-butylhomocysteine is a cysteine derivative[1].

  • CAS Number: 1396969-20-2
  • MF: C13H25NO4S
  • MW: 291.41
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2’-β-C-Ethynyladenosine

2’-β-C-Ethynyladenosine 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: 640725-76-4
  • MF: C12H13N5O4
  • MW: 291.26
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: 1.8±0.1 g/cm3
  • Boiling Point: 654.1±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 349.4±34.3 °C

PF 04217903 mesylate

PF-04217903 methanesulfonate is a selective ATP-competitive c-Met inhibitor with IC50 of 4.8 nM, susceptible to oncogenic mutations (no activity to Y1230C mutant).IC50 value: 4.8 nM [1]Target: c-Metin vitro: Being more selective than staurosporine or PF-02341066, PF-04217903 displays >1000-fold selectivity for c-Met over a panel of 208 kinases, although more susceptible to oncogenic mutations of c-Met that attenuate potency than PF-02341066. In addition to WT c-Met, PF-04217903 displays similar potency to inhibit the activity of c-Met-H1094R, c-Met-R988C, and c-Met-T1010I with IC50 of 3.1 nM, 6.4 nM, and 6.7 nM, respectively, but has no inhibitory activity against c-Met-Y1230C with IC50 of >10 μM [1]. PF-04217903 in combination with sunitinib significantly inhibits endothelial cells, but not the tumor cells B16F1, Tib6, EL4, and LLC [2] PF-04217903 significantly inhibits the clonogenic growth of LXFA 526L and LXFA 1647L with IC50 values of 16 nM, and 13 nM, respectively, yielding an additive effect when in combination with cetuximab [3]. in vivo: Although unable to inhibit tumor growth in the sunitinib-sensitive B16F1 and Tib6 tumor models, the combination of PF-04217903 and sunitinib significantly inhibits tumor growth in sunitinib-resistant EL4, and LLC tumor models compared with sunitinib or PF-04217903 alone by significantly blocking vascular expansion, indicating a functional role for HGF/c-Met axis in the sunitinib-resistant tumors [2].

  • CAS Number: 956906-93-7
  • MF: C20H20N8O4S
  • MW: 468.489
  • Catalog: c-Met/HGFR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

3’-beta-C-Methyl-N6-methyladenosine

3’-beta-C-Methyl-N6-methyladenosine 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: 565450-84-2
  • MF:
  • MW:
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Lauric acid-d5

Lauric acid-d5 is the deuterium labeled Lauric acid. Lauric acid is a middle chain-free fatty acid with strong bactericidal properties. The EC50s for P. acnes, S.aureus, S. epidermidis, are 2, 6, 4 μg/mL, respectively.

  • CAS Number: 1219804-38-2
  • MF: C12H19D5O2
  • MW: 205.35
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Pilosidine

Curcapicycloside (Pilosidine), a norlignan glucoside, exhibits antibacterial activity against Escherichia coli[1].

  • CAS Number: 229971-57-7
  • MF: C23H26O11
  • MW: 478.45
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PI3K-IN-35

PI3K-IN-35 (Compound 6l) is a highly selective PI3K inhibitor with IC50 values of 13.98, 7.22 and 10.94 μM for PI3K-α、PI3K-β and PI3K-δ, respectively. PI3K-IN-35 arrests cell cycle at G2/M phase and induces apoptosis. PI3K-IN-35 can be used in leukemia research[1].

  • CAS Number: 2458163-99-8
  • MF: C25H23N7O2
  • MW: 453.50
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

DIZ-3

DIZ-3 is a selective multimeric G4 ligand based on a G4-ligand-dimerizing strategy. DIZ-3 intercalates into the G4-G4 interface, stabilizing the higher-order structure. DIZ-3 induces cell cycle arrest and apoptosis, and thus inhibits cell proliferation in alternative lengthening of telomere (ALT) cancer cells[1].

  • CAS Number: 2675490-72-7
  • MF: C46H44F2N8
  • MW: 746.89
  • Catalog: G-quadruplex
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

OJV-VI

OJV-VI is found in ophiopogonis[1].

  • CAS Number: 125150-67-6
  • MF: C44H70O16
  • MW: 855.02
  • Catalog: Others
  • Density: 1.40±0.1 g/cm3(Predicted)
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HCV Core Protein (19-25)

PQDVKFP is a synthetic peptide, recognizing antigenic domains within the hepatitis C virus (HCV) core protein[1].

  • CAS Number: 153299-82-2
  • MF: C39H59N9O11
  • MW: 829.940
  • Catalog: HCV
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 1299.1±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 739.5±34.3 °C

MALT1-IN-3

MALT1-IN-3 (compound 122) is a potent MALT1 protease inhibitor, with an IC50 of 0.06 μM. MALT1-IN-3 has IC50 of 0.14 and 0.13 μM for human IL6/IL10 in OCI-LY3 cells, respectively[1].

  • CAS Number: 2504229-63-2
  • MF: C21H19F3N8O2
  • MW: 472.42
  • Catalog: MALT1
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

jesaconitine

Jesaconitine is a toxic alkaloid. Jesaconitine can be derived from Aconitum. Jesaconitine is one of the major metabolites that can be detected in the blood of the right atrium after aconitum poisoning. Various types of arrhythimia are characteristic in aconitine intoxication[1].

  • CAS Number: 16298-90-1
  • MF: C35H49NO12
  • MW: 675.76
  • Catalog: Cardiovascular Disease
  • Density: 1.37g/cm3
  • Boiling Point: 748.1ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 406.2ºC

ARM-1

ARM1 (4BSA) is a potent aminopeptidase and epoxide hydrolase inhibitor. ARM1 shows aminopeptidase inhibitory activity with an IC50 7.61 µM and epoxide hydrolase inhibitory activity with an IC50 12.4 µM[1].

  • CAS Number: 68729-05-5
  • MF: C16H14N2S
  • MW: 266.361
  • Catalog: Aminopeptidase
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 462.7±24.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 233.6±22.9 °C

N-(4-Azido-2-nitrophenyl)-N''-biotinylnorspemidine

N-(4-Azido-2-nitrophenyl)-N''-biotinylnorspemidine (Compound 4) is a biotin derivative[1].

  • CAS Number: 786609-83-4
  • MF: C22H33N9O4S
  • MW: 519.62
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MIPC

Isoprocarb is carbamate insecticide that widely used to control rice paddy lice and leafhopper. Isoprocarb is also an AChE inhibitor[1].

  • CAS Number: 2631-40-5
  • MF: C11H15NO2
  • MW: 193.242
  • Catalog: AChE
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 264.9±23.0 °C at 760 mmHg
  • Melting Point: 96-97ºC
  • Flash Point: 114.0±22.6 °C

GA3-AM

GA3-AM is a cell permeable analog of the plant hormone gibberellic acid that acts as a chemical dimerizer or chemical inducer of dimerization[1].

  • CAS Number: 1373154-68-7
  • MF: C22H26O8
  • MW: 418.43700
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(S)-Mephenytoin

(S)-Mephenytoin ((+)-Mephenytoin) is an anticonvulsive agent. (S)-Mephenytoin is a substrate of the cytochrome P450 (CYP) isoform CYP2C19. (S)-Mephenytoin can be used for the analysis of cytochrome P450 metabolism[1][2].

  • CAS Number: 70989-04-7
  • MF: C12H14N2O2
  • MW: 218.252
  • Catalog: Neurological Disease
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: 135-138ºC
  • Flash Point: N/A

Linzagolix

A novel potent gonadotrophin releasing hormone (GnRH) antagonist.

  • CAS Number: 935283-04-8
  • MF: C22H15F3N2O7S
  • MW: 508.424
  • Catalog: GNRH Receptor
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SP-420

SP-420 is a desferrithiocin analogue with iron-clearing efficiency with ICE value of 26.7; more potent than desferrithiocin.

  • CAS Number: 911714-45-9
  • MF: C16H21NO6S
  • MW: 355.406
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 562.2±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 293.8±32.9 °C

Fmoc-PEG4-Ala-Ala-Asn-PAB

Fmoc-PEG4-Ala-Ala-Asn-PAB is a cleavable 4 unit PEG ADC linker used in the synthesis of antibody-drug conjugates (ADCs)[1].

  • CAS Number: 2055048-57-0
  • MF: C43H55N5O13
  • MW: 849.92
  • Catalog: ADC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Dehydrotrametenolic acid

3-​Dehydrotrametenolic acid, isolated from the sclerotium of Poria cocos, is a lactate dehydrogenase (LDH) inhibitor. 3-​Dehydrotrametenolic acid promotes adipocyte differentiation in vitro and acts as an insulin sensitizer in vivo. 3-​Dehydrotrametenolic acid induces apoptosis and has anticancer activity[1][2].

  • CAS Number: 29220-16-4
  • MF: C30H46O3
  • MW: 454.684
  • Catalog: Apoptosis
  • Density: 1.08±0.1 g/cm3
  • Boiling Point: 585.4±50.0 °C at 760 mmHg
  • Melting Point: 257-259 ºC
  • Flash Point: 321.9±26.6 °C