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

Thalidomide-NH-(CH2)2-NH-Boc

Thalidomide-NH-(CH2)2-NH-Boc is a Boc-modified Thalidomide (HY-14658) that acts as a Cereblon ligand to recruit CRBN protein. The Boc protecting group at the end of Thalidomide-NH-(CH2)2-NH-Boc can be removed under acidic conditions to participate in the synthesis of PROTAC molecules. Thalidomide-NH-(CH2)2-NH-Boc is a key intermediate in the synthesis of CRBN-based PROTAC molecules.

  • CAS Number: 1957235-57-2
  • MF: C20H24N4O6
  • MW: 416.43
  • Catalog: Ligand for E3 Ligase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

As-358 hydrochloride

As-358 (hydrochloride) has inhibitory effects against Ebola virus and Marburg virus with IC50s of 9.1 μM and 18.1 μM, as well as exhibits good in vivo safety[1].

  • CAS Number: 2374723-26-7
  • MF: C18H32ClNO2
  • MW: 329.91
  • Catalog: Filovirus
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

TRAF-STOP inhibitor 6877002

TRAF-STOP inhibitor 6877002, is a selective inhibitor of CD40-TRAF6 interaction, compound VII, shows inhibition of NF-κB activation in RAW cells, extracted from patent WO2014033122A1[1]. TRAF-STOP 6877002 prevents the progression of established atherosclerosis in mice, reduces leukocyte recruitment and reduces macrophage activation; reduces macrophage proliferation in atherosclerotic plaques[2].

  • CAS Number: 433249-94-6
  • MF: C17H17NO
  • MW: 251.323
  • Catalog: TNF Receptor
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 378.6±42.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 133.5±28.0 °C

BMS-819881

BMS-819881 is a melaninconcentrating hormone receptor 1 (MCHR1) antagonist, which binds rat MCHR1 with a Ki of 7 nM. BMS-819881 also is selective and potent for CYP3A4 activity with an EC50 of 13 μM.

  • CAS Number: 1197420-05-5
  • MF: C24H21ClN2O4S
  • MW: 468.953
  • Catalog: MCHR1 (GPR24)
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 697.7±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 375.8±34.3 °C

AChE/HDAC-IN-1

COX-2-IN-23 (compound A10) is a potent both AChE and HDAC inhibitor with IC50 values of 0.12 and 0.23 nM. COX-2-IN-23 exhibits antioxidant activity and metal chelating properties. COX-2-IN-23 can be used in alzheimer's disease research[1].

  • CAS Number: 2414053-06-6
  • MF: C26H27ClN4O3
  • MW: 478.97
  • Catalog: HDAC
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Oleoyl coenzyme A lithium salt

Oleoyl coenzyme A (Oleoyl-CoA) lithium is a thioester of oleic acid and coenzyme A. Oleoyl coenzyme A lithium has a role as an Escherichia coli metabolite and a mouse metabolite[1][2].

  • CAS Number: 188824-37-5
  • MF: C39H64Li4N7O17P3S
  • MW: 1055.71000
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Galloylalbiflorin

Galloylalbiflorin (6′-O-Galloylalbiflorin) is an androgen receptor (AR) antagonist (IC50=53.3 μM) and can be found in the roots of Paeonia lactiflora. Galloylalbiflorin shows anti-androgens activity[1].

  • CAS Number: 929042-36-4
  • MF: C30H32O15
  • MW: 632.57
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Lp-PLA2-IN-9

Lp-PLA2-IN-9 (compound 17), a tetracyclic pyrimidinone compound, is a potent Lp-PLA2 inhibitor with a pIC50 of 10.1 for rhLp-PLA2. Lp-PLA2-IN-9 has the potential for neurodegenerative related diseases research[1].

  • CAS Number: 2637485-12-0
  • MF: C25H19ClF5N3O4
  • MW: 555.88
  • Catalog: Phospholipase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Propargyl-PEG1-SS-alcohol

Propargyl-PEG1-SS-alcohol is a cleavable 1 unit PEG ADC linker used in the synthesis of antibody-drug conjugates (ADCs)[1].

  • CAS Number: 1391914-41-2
  • MF: C7H12O2S2
  • MW: 192.299
  • Catalog: ADC Linker
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 319.2±32.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 146.8±25.1 °C

Secologansaeure

Secologanate is a natural secoiridoid glucoside found in Lonicerae Japonicae Caulis[1].

  • CAS Number: 22864-93-3
  • MF: C16H22O10
  • MW: 374.34000
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

N-methyl-N'-methyl-O-(m-PEG4)-O'-(propargyl-PEG4)-Cy3

N-methyl-N'-methyl-O-(m-PEG4)-O'-(propargyl-PEG4)-Cy3 is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 2107273-62-9
  • MF: C45H65ClN2O10
  • MW: 829.46
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ATN-224

ATN-224 is an oral Cu2+/Zn2+-superoxide dismutase 1 (SOD1) inhibitor. ATN-224 inhibits SOD1 activity in endothelial cells, an effect that is dose dependent with an IC50 of 17.5±3.7 nM.

  • CAS Number: 649749-10-0
  • MF: C10H28MoN2O2S4
  • MW: 432.56
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(-)-Polygodial

Polygodial (Poligodial) is an antifungal potentiator[1]. Polygodial is a sesquiterpene with anti-hyperalgesic properties[2].

  • CAS Number: 6754-20-7
  • MF: C15H22O2
  • MW: 234.334
  • Catalog: Fungal
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 330.7±35.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 124.0±22.9 °C

NMS-P715

NMS-P715 analog is an inhibitor of MPS1, with an IC50 of 84 nM.

  • CAS Number: 1202055-34-2
  • MF: C35H42N8O3
  • MW: 622.760
  • Catalog: Mps1
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

4',5-Dihydroxyflavone

4',5-Dihydroxyflavone is a soybean LOX-1 and yeast α-Glucosidase inhibitor, with an Ki of 102.6 μM for soybean LOX-1 and an IC50 of 66 μM for yeast α-glucosidase.

  • CAS Number: 6665-67-4
  • MF: C15H10O4
  • MW: 254.238
  • Catalog: 5-Lipoxygenase
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 486.0±45.0 °C at 760 mmHg
  • Melting Point: 239-240ºC
  • Flash Point: 190.0±22.2 °C

Cbz-NH-PEG6-C2-acid

Cbz-NH-PEG6-C2-acid is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 1334177-80-8
  • MF: C23H37NO10
  • MW: 487.541
  • Catalog: PROTAC Linker
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 627.2±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 333.1±31.5 °C

FMK

FMK is a an irreversible RSK2 kinase inhibitor, that covalently modifies the C-terminal kinase domain of RSK.

  • CAS Number: 821794-92-7
  • MF: C18H19FN4O2
  • MW: 342.36700
  • Catalog: Ribosomal S6 Kinase (RSK)
  • Density: 1.36g/cm3
  • Boiling Point: 633.3ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 336.8ºC

leucyl-arginyl-prolyl-glycinamide

LH-RH (7-10) is a tetrapeptide, one of major degradation products of luteinising-hormone releasing hormone (LHRH) via pituitary and hypothalamus. LH-RH (7-10) produced in macrophages, type I-like and type II pneumocytes[3].

  • CAS Number: 38482-71-2
  • MF: C19H36N8O4
  • MW: 440.54000
  • Catalog: GNRH Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(2H8)Dibenzo[b,d]thiophene

Dibenzothiophene-d8 is the deuterium labeled Dibenzothiophene[1].

  • CAS Number: 33262-29-2
  • MF: C12D8S
  • MW: 192.306
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 332.5±11.0 °C at 760 mmHg
  • Melting Point: 97-100ºC(lit.)
  • Flash Point: 114.8±5.5 °C

Vincristine Sulfate

Vincristine sulfate is an antitumor vinca alkaloid which inhibits microtubule formation in mitotic spindle, resulting in an arrest of dividing cells at the metaphase stage. It binds to microtubule with a Ki of 85 nM.

  • CAS Number: 2068-78-2
  • MF: C46H58N4O14S
  • MW: 923.036
  • Catalog: Microtubule/Tubulin
  • Density: N/A
  • Boiling Point: 273-281 °C
  • Melting Point: 300 °C
  • Flash Point: N/A

IDH-889

IDH889 is an orally available, brain penetrant, allosteric and mutant specific inhibitor of isocitrate dehydrogenase 1 (IDH1). IDH889 has potent selectivity for IDH1 R132* mutations, with IC50s of 0.02 μM, 0.072 μM and 1.38 μM for IDH1R132H, IDH1R132C and IDH1wt, respectively. IDH889 shows potent cellular inhibition of R-2-hydroxyglutarate (2-HG) production with an IC50 of 0.014 μM[1].

  • CAS Number: 1429179-07-6
  • MF: C23H25FN6O2
  • MW: 436.48
  • Catalog: Isocitrate Dehydrogenase (IDH)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CM03

CM03 is a G-quadruplex-binding compound that potently inhibits cell growth in PDAC cell lines (MIA PaCa-2 IC50=19 nM); CM03 shows >20-fold selectivity for MIA PaCa-2 compared to MCF-7 cells, also shows greater selectivity than MM41 relative to the non-oncogenic control fibroblasts; demonstrates anticancer activity in PDAC models, with a superior profile compared to gemcitabine.

  • CAS Number: 2101208-44-8
  • MF: C34H44N6O6
  • MW: 632.762
  • Catalog: DNA/RNA Synthesis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

9-Hydroxycalabaxanthone

9-Hydroxycalabaxanthone (Xanthone I) is a known xanthone isolated from Garcinia mangostana Linn. 9-Hydroxycalabaxanthone has quorum-sensing inhibitory, anti-microbial, and anti-malarial activities (IC50=1.2-1.5 µM)[1].

  • CAS Number: 35349-68-9
  • MF: C24H24O6
  • MW: 408.444
  • Catalog: Bacterial
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 617.6±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 213.9±25.0 °C

11-Azidoundecanoic acid

11-Azidoundecanoic acid is a click chemistry reagent containing an azide group. 11-Azidoundecanoic acid acts as a hydrophobic bioconjugation linker that can be further modified at the azido-position using Staudinger ligation or Click-chemistry. 11-Azidoundecanoic acid is substrate of lipoic acid ligase (LpIA) for labeling[1][2].

  • CAS Number: 118162-45-1
  • MF: C11H21N3O2
  • MW: 227.30300
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Propargyl-PEG5-amine

Propargyl-PEG5-amine is a non-cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs). Propargyl-PEG5-amine is a PEG-based PROTAC linker can be used in the synthesis of PROTACs[1].

  • CAS Number: 1589522-46-2
  • MF: C13H25NO5
  • MW: 275.341
  • Catalog: ADC Linker
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 360.4±37.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 166.5±20.2 °C

NMI 8739

NMI 8739 is a dopamine D2 autoreceptor agonist, which is an amine conjugate of the DHA carrier and the neurotransmitter dopamine.

  • CAS Number: 129024-87-9
  • MF: C30H41NO3
  • MW: 463.65100
  • Catalog: Dopamine Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cyclodrine hydrochloride

Cyclodrine hydrochloride is a cholinergic (muscarinic, nicotinic) (mAChR and nAChR) receptor antagonist.

  • CAS Number: 78853-39-1
  • MF: C19H30ClNO3
  • MW: 355.89900
  • Catalog: mAChR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BMS-1166

BMS-1166 is a potent PD-1/PD-L1 interaction inhibitor with an IC50 of 1.4 nM.

  • CAS Number: 1818314-88-3
  • MF: C36H33ClN2O7
  • MW: 641.11
  • Catalog: PD-1/PD-L1
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

LY-3381916

LY-3381916 is a potent, selective and brain penetrated inhibitor of IDO1 activity, binds to apo-IDO1 lacking heme rather than mature heme-bound IDO1[1].

  • CAS Number: 2166616-75-5
  • MF: C23H25FN2O3
  • MW: 396.45
  • Catalog: Indoleamine 2,3-Dioxygenase (IDO)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Panicolin

Skullcapflavone I can be isolated from A. nallamalayana. Skullcapflavone I inhibits collagenase and elastase enzyme with IC50s of 106.74 μM and 186.70 μM. Skullcapflavone I has anticancer activities by down-regulating miR-23a[1].

  • CAS Number: 41060-16-6
  • MF: C17H14O6
  • MW: 314.29
  • Catalog: MicroRNA
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 573.6±50.0 °C at 760 mmHg
  • Melting Point: 254-256℃
  • Flash Point: 215.5±23.6 °C