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

(-)-BICUCULLINE METHBROMIDE

Bicuculline methobromide is a selective GABAA receptor antagonist with an IC50 value of 3 μM. Bicuculline methobromide induces clonic tonic convulsions in mammals and can also be used to block Ca2+ activated potassium channels. Bicuculline methobromide can be used in studies of epilepsy and other related psychiatric disorders[1][2].

  • CAS Number: 66016-70-4
  • MF: C21H20BrNO6
  • MW: 462.29100
  • Catalog: GABA Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Iodoacetyl-PEG4-NHS ester

Iodoacetyl-PEG4-NHS ester is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 2517899-65-7
  • MF: C17H27IN2O9
  • MW: 530.31
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

5-Hydroxyseselin

5-Hydroxyseselin is a natural product isolated from Metrodorea flavida[1].

  • CAS Number: 31525-75-4
  • MF: C14H12O4
  • MW: 244.24300
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

1,2,15,16-tetrahydrotanshiquinone

Trijuganone B (Tetrahydro tanshinone I) can be extracted from from the roots of Salvia miltiorrhiza f. alba. Trijuganone B inhibits the proliferation of leukemia cells[1][2].

  • CAS Number: 126979-84-8
  • MF: C18H16O3
  • MW: 280.31800
  • Catalog: Cancer
  • Density: 1.29g/cm3
  • Boiling Point: 470ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 210.2ºC

WSD0922

WSD-0922 is a potent, selective, orally active, and BBB penetrable EGFR/EGFRVIII inhibitor. WSD-0922 is against EGFRm+ (EGFRvIII/Del19/L858R) with an IC50 of <10 nM. WSD0922 shows good safety profile and preclinical anti-tumor efficacy[1].

  • CAS Number: 2226552-64-1
  • MF: C23H21F3N4O2
  • MW: 442.43
  • Catalog: EGFR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

RSS0680

RSS0680 (Example 22) is a bifunctional compound targeted protein degradation of kinases. RSS0680 degrades AAK1, CDK1, CDK16, CDK2, CDK4, CDK6, EIF2AK4, GAK, LATSl, LIMK2, MAPK6, MAPKAPK5, MARK2, MARK4, MKNK2, NEK9, RPS6KB1, SIK2, SNRK, STK17A, STK17B, STK35, and WEEl. RSS0680 can be used for research of disease or disorder mediated by aberrant kinase activity[1].

  • CAS Number: 2769753-48-0
  • MF: C52H64N10O6S3
  • MW: 1021.32
  • Catalog: CDK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cbl-b-IN-1

Cbl-b-IN-1 (example 519) is a Cbl-b inhibitor, extracted from patent WO2019148005A1, with an IC50 <100 nM[1].

  • CAS Number: 2368841-84-1
  • MF: C29H34N6O2
  • MW: 498.62
  • Catalog: E1/E2/E3 Enzyme
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Disodium 4-methyl-2-oxo-2H-chromen-7-yl phosphate

4-Methylumbelliferyl phosphate (4-MUP) disodium, an anionic organophosphate, is a acid and alkaline phosphatase fluorogenic substrate. 4-Methylumbelliferyl phosphate disodium is also a nerve agent simulant[1][2][3].

  • CAS Number: 22919-26-2
  • MF: C10H7Na2O6P
  • MW: 300.112
  • Catalog: Phosphatase
  • Density: N/A
  • Boiling Point: 511.4ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 263.1ºC

himastatin

Himastatin is a antitumor antibiotic produced by a strain of S. hygroscopicus sp. Himastatin is a dimeric cyclohexadepsipeptide containing piperazic acid and a unique central aromatic core[1].

  • CAS Number: 126775-74-4
  • MF: C144H208N28O40
  • MW: 2971.356
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

DDR1-IN-5

DDR1-IN-5 is a selective Discoidin Domain Receptor family, member 1 (DDR1) inhibitor with an IC50 of 7.36 nM. DDR1-IN-5 inhibits auto-phosphorylation DDR1b (Y513) with an IC50 of 4.1 nM. DDR1-IN-5 has anti-cancer activity[1].

  • CAS Number: 2416022-90-5
  • MF: C22H13F3N6O
  • MW: 434.37
  • Catalog: Discoidin Domain Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Abiraterone metabolite 1

Abiraterone metabolite 1 is a 5β-reduced metabolite of abiraterone. Abiraterone, a steroidal drug, inhibits CYP17A1, blocks androgen synthesis and prolongs survival in prostate cancer.

  • CAS Number: 1940176-03-3
  • MF: C24H33NO
  • MW: 351.52
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Boc- D -His-OH

(tert-Butoxycarbonyl)-D-histidine is a histidine derivative[1].

  • CAS Number: 50654-94-9
  • MF: C11H17N3O4
  • MW: 255.270
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 522.2±45.0 °C at 760 mmHg
  • Melting Point: 193-197ºC
  • Flash Point: 269.6±28.7 °C

BChE/HDAC6-IN-2

BChE/HDAC6-IN-2 (compound 29a) is a dual inhibitor of BChE and HDAC6 with IC50s of 1.8 nM and 71.0 nM, respectively. BChE/HDAC6-IN-2 has prominently neuroprotective effects and reactive oxygen species (ROS) scavenging activity. BChE/HDAC6-IN-2 is also an effective chelator of metal ion (Fe2+ and Cu2+). BChE/HDAC6-IN-2 inhibits phosphorylation of tau, and exhibits moderate immunomodulatory effect.

  • CAS Number: 2925457-33-4
  • MF: C27H30N4O4
  • MW: 474.55
  • Catalog: HDAC
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Chlormethiazole hydrochloride

Clomethiazole hydrochloride is a sedative and anticonvulsant. Clomethiazole hydrochloride is neuroprotective and prevents the degeneration of serotonergic nerve terminals induced by 3,4-methylenedioxymethamphetamine (MDMA)[1][2].

  • CAS Number: 6001-74-7
  • MF: C6H9Cl2NS
  • MW: 297.52200
  • Catalog: Neurological Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 136 °C
  • Flash Point: N/A

N,N-dimethyl-4-(phenyldiazenyl)aniline-d5

N,N-dimethyl-4-(phenyldiazenyl)aniline-d5 is the deuterium labeled N,N-dimethyl-4-(phenyldiazenyl)aniline[1].

  • CAS Number: 1398109-08-4
  • MF: C14H10D5N3
  • MW: 230.320
  • Catalog: Others
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 371.0±25.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 178.2±23.2 °C

Transcainide

Transcainide (R 54718) is an orally active antiarrhythmic agent[1].

  • CAS Number: 88296-62-2
  • MF: C22H35N3O2
  • MW: 373.53200
  • Catalog: Cardiovascular Disease
  • Density: 1.13g/cm3
  • Boiling Point: 529.4ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 274ºC

Nazartinib S-enantiomer

Nazartinib S-enantiomer (EGF816 S-enantiomer) is the less active S-enantiomer of Nazartinib. Nazartinib (EGF816) is an EGFR inhibitor.

  • CAS Number: 1508256-20-9
  • MF: C26H31ClN6O2
  • MW: 495.016
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Trifluoperazine N-β-D-Glucuronide

Trifluoperazine N-Glucuronide (UGT1A4), as one of the human UGT1A isoforms, is expressed in the liver. Trifluoperazine N-Glucuronide catalyzes the imipramine and trifluoperazine Nglucuronide formation[1].

  • CAS Number: 165602-90-4
  • MF: C27H32F3N3O6S
  • MW: 583.62000
  • Catalog: Metabolic Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CPI-613

CPI-613 is a lipoic acid analog that inhibits pyruvate dehydrogenase (PDH) and α-ketoglutarate dehydrogenase, disrupts mitochondrial metabolism and shows strong antitumor activity.

  • CAS Number: 95809-78-2
  • MF: C22H28O2S2
  • MW: 388.586
  • Catalog: Cancer
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 553.0±50.0 °C at 760 mmHg
  • Melting Point: 63-65℃
  • Flash Point: 288.3±30.1 °C

4-Feruloylquinic acid

4-Feruloylquinic acid may be a potential biomarker for food products[1].

  • CAS Number: 2613-86-7
  • MF: C17H20O9
  • MW: 368.335
  • Catalog: Others
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 656.1±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 238.9±25.0 °C

IRAK4-IN-21

IRAK4-IN-21 (compound 17) is an orally active, potent and selective IRAK4 inhibitor with IC50 values of 5 and 56 nM for IRAK4 and TAK1, respectively. IRAK4-IN-21 effectively inhibits IL-23 production (IC50=0.17 µM) and can be used in studies of autoimmune diseases such as plaque psoriasis and psoriatic arthritis[1].

  • CAS Number: 2170694-04-7
  • MF: C28H28FN7O2
  • MW: 513.57
  • Catalog: IRAK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Dehydronitrosonisoldipine

Dehydronitrosonisoldipine is a calcium channel antagonist.

  • CAS Number: 87375-91-5
  • MF: C20H22N2O5
  • MW: 370.40
  • Catalog: Calcium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

GLPG0492

GLPG0492 is a novel selective androgen receptor modulator; exhibited anabolic activity on muscle, strongly dissociated from the androgenic activity on prostate after oral dosing.IC50 value:Target: AR modulatorGLPG0492 has very good pharmacokinetic properties, including bioavailability in rat (F > 50%), and is currently under evaluation in phase I clinical trials [1]. GLPG0492 is a new non-steroidal selective androgen receptor modulator that is currently under development for musculo-skeletal diseases such as sarcopenia and cachexia. In acute exhaustion tests, a surrogate of the 6-min walking test used in DMD patients, GLPG0492 preserved running performance, whereas vehicle- or comparator-treated animals showed a significant increase in fatigue (30-50%) [2]. GLPG0492 treatment partially prevents immobilization-induced muscle atrophy with a trend to promote muscle fiber hypertrophy in a dose-dependent manner. Interestingly, GLPG0492 was found as efficacious as TP at reducing muscle loss while sparing reproductive tissues. Furthermore, gene expression studies performed on tibialis samples revealed that both GLPG0492 and TP were slowing down muscle loss by negatively interfering with major signaling pathways controlling muscle mass homeostasis [3].

  • CAS Number: 1215085-92-9
  • MF: C19H14F3N3O3
  • MW: 389.328
  • Catalog: Others
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 544.0±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 282.8±32.9 °C

NCGC00262650

NCGC00262650 is a potent apical membrane antigen 1-rhoptry neck protein 2 (AMA1-RON2) interaction inhibitor. NCGC00262650 can block entry of merozoites into red blood cells[1].

  • CAS Number: 344359-25-7
  • MF: C18H20N4O
  • MW: 308.38
  • Catalog: Infection
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Semustine

Semustine is a DNA alkylator, binds to DNA, and acts as a cancer chemotherapeutic agent[1].

  • CAS Number: 13909-09-6
  • MF: C10H18ClN3O2
  • MW: 247.72200
  • Catalog: DNA Alkylator/Crosslinker
  • Density: 1.31 g/cm3
  • Boiling Point: N/A
  • Melting Point: 64°C (rough estimate)
  • Flash Point: N/A

AR-M 1000390 hydrochloride

AR-M 1000390 hydrochloride is an exceptionally selective, potent δ opioid receptor agonist with an EC50 of 7.2±0.9 nM for δ agonist potency.

  • CAS Number: 209808-47-9
  • MF: C23H29ClN2O
  • MW: 384.942
  • Catalog: Opioid Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

N-ForMyl-D-leucine, tech.

(R)-2-formamido-4-methylpentanoic acid is a leucine derivative[1].

  • CAS Number: 44978-39-4
  • MF: C7H13NO3
  • MW: 159.18300
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 132-136℃
  • Flash Point: N/A

Ethosuximide-d3

Ethosuximide-d3 is the deuterium labeled Ethosuximide. Ethosuximide, a widely prescribed anti-epileptic drug, improves the phenotypes of multiple neurodegenerative disease models and blocks the low voltage activated T-type calcium channel[1][2].

  • CAS Number: 1189703-33-0
  • MF: C7H8D3NO2
  • MW: 144.18600
  • Catalog: Calcium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Efmitermant alfa

Efmitermant alfa (ACE-083) is a locally acting, follistatin-based fusion protein. Efmitermant alfa also is a muscle-promoting agent. Efmitermant alfa can be used for the research of muscle disorders[1][2].

  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PC170942

Novel Inhibitor of Bacterial Cytokinesis, inhibiting FtsZ

  • CAS Number: 867207-49-6
  • MF: C24H24ClNO2S
  • MW: 425.97
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A