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

(+)-Erysotramidine

Erysotramidine is an alkaloid that can be isolated from the stem barks of Erythrina stricta[1].

  • CAS Number: 52358-58-4
  • MF: C19H21NO4
  • MW: 327.37
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 565.8±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 296.0±30.1 °C

MLK-IN-1

MLK-IN-1 is a potent, brain penetrant and specific mixed lineage kinase 3 (MLK-3) inhibitor, compound 68, extracted from patent US20140256733A1[1].

  • CAS Number: 1627729-62-7
  • MF: C23H20N4O3S
  • MW: 432.49
  • Catalog: Mixed Lineage Kinase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

IDR 1002

IDR 1002 is an IPO-38 antibody marker protein. IDR1002 catalyzes the conversion of arginine to citrulline. IDR 1002 can be usedto study the role of citrullinated modification of protein in cancer biology[1].

  • CAS Number: 1224095-25-3
  • MF: C79H130N26O13
  • MW: 1652.04
  • Catalog: Neurological Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

RBI-257 Maleate

RBI-257 maleate is a potent dopamine D4 receptor antagonist with a Ki value of 0.3 nM[1].

  • CAS Number: 911378-38-6
  • MF: C25H32IN3O5
  • MW: 581.44
  • Catalog: Dopamine Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

sulfamoxol

Sulfamoxole is a broad- spectrum chemotherapeutic antimicrobial agent. Sulfamoxole can be used for the study of pediatric infections[1].

  • CAS Number: 729-99-7
  • MF: C11H13N3O3S
  • MW: 267.30400
  • Catalog: Bacterial
  • Density: 1.411g/cm3
  • Boiling Point: 481ºC at 760 mmHg
  • Melting Point: 197-199℃
  • Flash Point: 244.7ºC

PFI-2

PFI-2 is a a first-in-class, potent, highly selective, and cell-active inhibitor of the methyltransferase activity of SETD7 with IC50 of 2 nM, 500 fold active than (S)-PFI-2.IC50 value: 2 nM [1]Target: SETD7(R)-PFI-2 is highly selective (>1,000-fold) for SETD7, over a panel of 18 other human protein methyltransferases and DNMT1, and was shown to be inactive against 134 additional ion channel, GPCR, and enzyme targets (<35% inhibition at 10 μM). (R)-PFI-2 binds to SETD7 only in the presence of SAM. PFI-766, a biotinylated variant of (R)-PFI-2 that retains the ability to bind and inhibit SETD7 (IC50 110 ± 26 nM in our in vitro enzymatic assay). PFI-766 engagement of endogenous SETD7 was also confirmed by mass spectrometry that supported the high specificity of the compound for endogenous SETD7.

  • CAS Number: 1627676-59-8
  • MF: C23H25F4N3O3S
  • MW: 499.522
  • Catalog: Histone Methyltransferase
  • Density: 1.371±0.06 g/cm3
  • Boiling Point: 642.7±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 342.5±34.3 °C

[[[(2R,5S)-5-(4-amino-5-fluoro-2,6-dioxo-3H-pyrimidin-1-yl)-1,3-oxathi olan-2-yl]methyl-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphon ic acid

Emtricitabine triphosphate ((-)-Emtricitabine triphosphate) is the phosphorylated anabolite of Emtricitabine (HY-17427). Emtricitabine is a nucleoside reverse transcriptase inhibitor. Emtricitabine is antiretroviral agent for HIV and HBV infection[1][2].

  • CAS Number: 145819-92-7
  • MF: C8H13FN3O12P3S
  • MW: 487.18600
  • Catalog: HIV
  • Density: 2.08g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2-Ethyl-6-methylaniline-d13

2-Ethyl-6-methylaniline-d13 is the deuterium labeled 2-Ethyl-6-methylaniline[1].

  • CAS Number: 1219794-93-0
  • MF: C9D13N
  • MW: 148.286
  • Catalog: Others
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 228.3±9.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 89.4±0.0 °C

1-BOC-AZETIDINE-3-CARBOXYLICACIDMETHYLESTER

Methyl 1-Boc-azetidine-3-carboxylate is a non-cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs). Methyl 1-Boc-azetidine-3-carboxylate is also a alkyl chain-based PROTAC linker that can be used in the synthesis of PROTACs[1

  • CAS Number: 610791-05-4
  • MF: C10H17NO4
  • MW: 215.246
  • Catalog: ADC Linker
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 269.0±33.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 116.5±25.4 °C

Ivacaftor benzenesulfonate

Ivacaftor benzenesulfonate is an orally bioavailable CFTR potentiator, used for cystic fibrosis treatment.

  • CAS Number: 1134822-09-5
  • MF: C30H34N2O6S
  • MW: 550.666
  • Catalog: CFTR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Biotin-PEG3-Bis-sulfone

Biotin-PEG3-Bis-sulfone is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 2055048-58-1
  • MF: C43H56N4O11S3
  • MW: 901.12
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

17beta-estradiol-2,4,16,16,17-d5

Estradiol-d5 is deuterium labeled Estradiol. Estradiol is a steroid sex hormone vital to the maintenance of fertility and secondary sexual characteristics in females. Estradiol upregulates IL-6 expression through the estrogen receptor β (ERβ) pathway[1][2][3].

  • CAS Number: 221093-45-4
  • MF: C18H19D5O2
  • MW: 277.41
  • Catalog: Cancer
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 445.9±45.0 °C at 760 mmHg
  • Melting Point: 178-179ºC(lit.)
  • Flash Point: 209.6±23.3 °C

Tolbutamide Sodium

Tolbutamide sodium is a potent and orally active antidiabetic agent. Tolbutamide sodium induces apoptosis in a Ca2+ dependent manner in pancreatic β-cells. Tolbutamide sodium has the potential for the research of non-insulin-dependent diabetes mellitus[1][2].

  • CAS Number: 473-41-6
  • MF: C12H18N2O3S
  • MW: 270.34800
  • Catalog: Apoptosis
  • Density: 1.184g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

GNE-6893

GNE-6893 is a potent and orally active HPK1 inhibitor. GNE-6893 can be used in research of cancer[1].

  • CAS Number: 2415374-98-8
  • MF: C23H24FN5O4
  • MW: 453.47
  • Catalog: MAP4K
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Buflomedil hydrochloride

Buflomedil HCl is a vasodilator used to treat claudication or the symptoms of peripheral arterial disease.Target: OthersBuflomedil is a vasoactive drug used to treat claudication or the symptoms of peripheral arterial disease. In the EU, buflomedil, a vasoactive agent, was indicated for treatment of PAOD symptoms, specifically in patients with stage II PAOD who experience severe pain when walking even relatively short distances. Buflomedil is not currently approved by the US Food and Drug Administration for use in the United States.

  • CAS Number: 35543-24-9
  • MF: C17H26ClNO4
  • MW: 343.846
  • Catalog: Others
  • Density: N/A
  • Boiling Point: 454.5ºC at 760 mmHg
  • Melting Point: 193°C
  • Flash Point: 228.7ºC

pyrante

Pyrantel is an orally active anthelmintic and an agonist of the nicotinic acetylcholine receptor (nAChR). Pyrantel can cause spasmodic muscle paralysis in parasites. Pyrantel can be used in the study of parasitic infections such as ascariasis, hookworm infections, intestinal worms (pinworm infections), trichinosis and trichinosis[1][2].

  • CAS Number: 15686-83-6
  • MF: C34H30N2O6S
  • MW: 594.67700
  • Catalog: nAChR
  • Density: 1.13g/cm3
  • Boiling Point: 324.4ºC at 760mmHg
  • Melting Point: 178-179ºC
  • Flash Point: 150ºC

tans-4-Hydroxy-D-proline hydrochloride

tans-4-Hydroxy-D-proline hydrochloride is a non-cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs). tans-4-Hydroxy-D-proline hydrochloride is also a alkyl chain-based PROTAC linker that can be used in the synthesis of PR

  • CAS Number: 142347-81-7
  • MF: C5H10ClNO3
  • MW: 167.591
  • Catalog: ADC Linker
  • Density: N/A
  • Boiling Point: 368.6ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 176.7ºC

Agomelatine D6

Agomelatine D6 (S-20098 D6) is deuterium labeled Agomelatine. Agomelatine is a specific agonist of MT1 and MT2 receptors[1] .

  • CAS Number: 1079389-42-6
  • MF: C15H11D6NO2
  • MW: 249.33800
  • Catalog: 5-HT Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Isocryptotanshinone

Isocryptotanshinone is a potent signal transducer and activator of transcription 3 (STAT3) and protein tyrosine phosphatase 1B PTP1B inhibitor, with an IC50 of 56.1 μM for PTP1B.

  • CAS Number: 22550-15-8
  • MF: C19H20O3
  • MW: 296.36000
  • Catalog: STAT
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ML 3403

ML3403 is a potent p38 MAPK inhibitor with an IC50 of 0.38 μM[1].

  • CAS Number: 549505-65-9
  • MF: C23H21FN4S
  • MW: 404.50300
  • Catalog: p38 MAPK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Mal-NH-PEG12-CH2CH2COOPFP ester

Mal-NH-PEG12-CH2CH2COOPFP ester is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 2136296-33-6
  • MF: C40H59F5N2O17
  • MW: 934.89
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BMT-124110

BMT-124110 is a potent, selective AAK1 inhibitor with an IC50 of 0.9 nM. BMT-124110 shows antinociceptive activity. BMT-090605 inhibits BMP-2-inducible protein kinase (BIKE) and Cyclin G-associated kinase (GAK) with IC50s of 17 and 99 nM, respectively[1].

  • CAS Number: 1679371-59-5
  • MF: C21H27N3O3
  • MW: 369.46
  • Catalog: Neurological Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PCPA methyl ester hydrochloride

PCPA methyl ester hydrochloride (4-Chloro-DL-phenylalanine methyl ester hydrochloride), a reversible tryptophan hydroxylase inhibitor, is a serotonin (5-HT) synthesis inhibitor. PCPA methyl ester hydrochloride crosses the blood brain barrier and reduces 5-HT central availability[1][2].

  • CAS Number: 14173-40-1
  • MF: C10H13Cl2NO2
  • MW: 250.122
  • Catalog: 5-HT Receptor
  • Density: N/A
  • Boiling Point: 296.3ºC at 760 mmHg
  • Melting Point: 186-189 °C(lit.)
  • Flash Point: 133ºC

CVT 10216

CVT-10216 is a highly selective, reversible aldehyde dehydrogenase-2 (ALDH-2) inhibitor with an IC50 of 29 nM. CVT-10216 also has inhibitory effect of ALDH-1 with an IC50 of 1.3 μM. CVT-10216 can reduces excessive alcohol drinking in alcohol-preferring rats and exhibits anxiolytic effects[1].

  • CAS Number: 1005334-57-5
  • MF: C24H19NO7S
  • MW: 465.475
  • Catalog: Aldehyde Dehydrogenase (ALDH)
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 714.2±70.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 385.8±35.7 °C

EBOV/MARV-IN-2

EBOV/MARV-IN-2 (compound 13) is an Ebolavirus (EBOV, IC50=0.9 μM) and Marburg virus (MARV, IC50=2.7 μM) inhibitor[1].

  • CAS Number: 2687244-84-2
  • MF: C27H28N2O4
  • MW: 444.52
  • Catalog: Infection
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

DMP 543

DMP-543 (XR-543) is a KV7 channel blocker, also acts as a potent neurotransmitter release enhancer[1][2].

  • CAS Number: 160588-45-4
  • MF: C26H18F2N2O
  • MW: 412.43
  • Catalog: Potassium Channel
  • Density: 1.319g/cm3
  • Boiling Point: 593.1ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 312.5ºC

HSP70/SIRT2-IN-2

HSP70/SIRT2-IN-2 (Compounds 1a) is a dual inhibitor for SIRT2 and HSP70, with IC50 of 45.1±5.0 μM for SIRT2. HSP70/SIRT2-IN-2 has antitumor activity[1].

  • CAS Number: 1796557-72-6
  • MF: C17H13N3S3
  • MW: 355.50
  • Catalog: HSP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PEG9-Tos

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

  • CAS Number: 886469-23-4
  • MF: C23H40O11S
  • MW: 524.622
  • Catalog: PROTAC Linker
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 615.0±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 325.8±31.5 °C

4-(trifluoromethoxy)-dl-phenylglycine

2-Amino-2-(4-(trifluoromethoxy)phenyl)acetic acid is a Glycine (HY-Y0966) derivative[1].

  • CAS Number: 261952-24-3
  • MF: C9H8F3NO3
  • MW: 235.16000
  • Catalog: Others
  • Density: 1.454g/cm3
  • Boiling Point: 294ºC at 760mmHg
  • Melting Point: ca 292℃ subl.
  • Flash Point: 131.6ºC

Colutehydroquinone

Colutehydroquinone is an isoflavonoid that can be found in the root bark of Colutea arborescens. Colutehydroquinone exhibits antifungal activity[1].

  • CAS Number: 181311-16-0
  • MF: C18H20O6
  • MW: 332.35
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: 461.2±45.0 °C(Predicted)
  • Melting Point: N/A
  • Flash Point: N/A