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

Cucurbitacin IIA

Cucurbitacin IIa is a triterpene isolated from Hemsleya amalils Diels, induces apoptosis of cancer cells, reduces expression of survivin, reduces phospho-Histone H3 and increases cleaved PARP in cancer cells[1].

  • CAS Number: 58546-34-2
  • MF: C32H50O8
  • MW: 562.735
  • Catalog: Apoptosis
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 679.1±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 209.7±25.0 °C

Zedoarofuran

Zedoarofuran is a natural product that can be isolated from Zedoariae Rhizoma[1].

  • CAS Number: 213833-34-2
  • MF: C15H20O4
  • MW: 264.32
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 424.8±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 210.7±28.7 °C

Etelcalcetide

Etelcalcetide (AMG 416) is a synthetic peptide as an activator of the calcium sensing receptor (CaSR). Etelcalcetide is effective in lowering parathyroid hormone (PTH) concentrations in patients receiving dialysis with secondary hyperparathyroidism receiving hemodialysis[1].

  • CAS Number: 1262780-97-1
  • MF: C38H73N21O10S2
  • MW: 1048.25000
  • Catalog: CaSR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Fenobam

Fenobam is a selective, orally active, and non-competitive mGluR5 antagonist acting at an allosteric modulatory site (Kd values are 54 and 31 nM for rat and human recombinant mGlu5 receptors, respectively). Fenobam displays inverse agonist activity which blocks the mGlu5 receptor basal activity with an IC50 of 84 nM. Fenobam exerts anxiolytic activity[1][2].

  • CAS Number: 57653-26-6
  • MF: C11H11ClN4O2
  • MW: 266.68400
  • Catalog: mGluR
  • Density: 1.47 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

AZD-5991 S-enantiomer

AZD-5991 S-enantiomer is the less active enantiomer of AZD-5991. AZD-5991 S-enantiomer is a Mcl-1 inhibitor with an IC50 of 6.3 μM in FRET assay and a Kd of 0.98 μM in surface plasmon resonance (SPR) assay.

  • CAS Number: 2143061-82-7
  • MF: C35H34ClN5O3S2
  • MW: 672.26
  • Catalog: Bcl-2 Family
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

L-(+)Sodium glutamate

L-Glutamic acid monosodium salt (Monosodium glutamate) is an activator of mGlu1 receptor.

  • CAS Number: 142-47-2
  • MF: C5H8NNaO4
  • MW: 169.111
  • Catalog: mGluR
  • Density: N/A
  • Boiling Point: 333.8ºC at 760 mmHg
  • Melting Point: 232°C
  • Flash Point: 155.7ºC

((3-Chloro-4-fluorophenyl)sulfonyl)proline

((3-Chloro-4-fluorophenyl)sulfonyl)proline is a proline derivative[1].

  • CAS Number: 439093-24-0
  • MF: C11H11ClFNO4S
  • MW: 307.73
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

β,β-Trehalose-d14

β,β-Trehalose-d14 is the deuterium labeled β,β-Trehalose[1].

  • CAS Number: 2028292-33-1
  • MF: C12H8D14O11
  • MW: 356.38
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Feglymycin

Feglymycin is a HIV replication inhibitor. Feglymycin is also an antibiotic peptide that has antibacterial activity (MIC: 32-64 μg/mL for Staphylococcus aureus)[1].

  • CAS Number: 209335-49-9
  • MF: C95H97N13O30
  • MW: 1900.86000
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

eIF4A3-IN-17

eIF4A3-IN-17 (compound 61) is a silvestrol (HY-13251) analogue. eIF4A3-IN-17 interferes the assembling of eIF4F translation complex with EC50s of 0.9, 15 and 1.8 nM for myc-LUC, tub-LUC and the growth inhibition for MBA-MB-231 cells. eIF4A3-IN-17 can be used for the research of human cancer pathogenesis[1].

  • CAS Number: 1402931-75-2
  • MF: C28H25NO7
  • MW: 487.50
  • Catalog: Eukaryotic Initiation Factor (eIF)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Bruceine H

Yadanziolide A, isolated from the cultivated dry seeds of Brucea javanica, has strong antiviral activities with IC50 of 5.5 μM against tobacco mosaic virus. Yadanziolide A shows significant antitumor effects[1][2].

  • CAS Number: 95258-14-3
  • MF: C20H26O10
  • MW: 426.41400
  • Catalog: Cancer
  • Density: 1.68±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: 285-287 ºC
  • Flash Point: N/A

H-A

H-Asp(Obzl)-OtBu.HCl is an aspartic acid derivative[1].

  • CAS Number: 52615-97-1
  • MF: C15H22ClNO4
  • MW: 315.79200
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Trelagliptin succinate

Trelagliptin(SYR-472) is a long acting dipeptidyl peptidase-4 (DPP-4) inhibitor that is being developed for the treatment of type 2 diabetes (T2D). IC50 value:Target: DPP4Two Phase II clinical studies have been completed with Efficacy and Safety of SYR-472 in Subjects With Type 2 Diabetes Mellitus. Phase III clinical studies with trelagliptin in Japan to evaluate its safety and efficacy in a once-weekly oral treatment regimen. Currently, all available DPP-4 inhibitors are dosed once-daily. A once-weekly treatment, such as trelagliptin, would provide patients with a convenient treatment alternative and has the potential to improve treatment compliance.

  • CAS Number: 1029877-94-8
  • MF: C22H26FN5O6
  • MW: 475.470
  • Catalog: Dipeptidyl Peptidase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Homoeriodictyol 7-O-glucoside

Homoeriodictyol 7-O-β-D-glucoside is a natural platelet-activating factor (PAF) antagonist. Homoeriodictyol 7-O-β-D-glucoside inhibits human and rabbit platelet aggregation induced by PAF, with an IC50 of 0.8 μM[1].

  • CAS Number: 14982-11-7
  • MF: C22H24O11
  • MW: 464.41900
  • Catalog: Cardiovascular Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MANNOTRIOSE-DI-(N-ACETYL-D-GLUCOSAMINE)

Paucimannose is a common mannosidic N-glycoepitope that exists in invertebrates and plants. paucimannosidic glycans are expressed in cancers[1].

  • CAS Number: 70858-45-6
  • MF: C34H58N2O26
  • MW: 910.82200
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Febuxostat

Febuxostat(TEI 6720;TMX 67 ) is selective xanthine oxidase inhibitor with Ki of 0.6 nM.IC50 value: 0.6 nM (Ki) [1]Target: xanthine oxidasein vitro: Febuxostat displays potent mixed-type inhibition of the activity of purified bovine milk xanthine oxidase, with Ki and Ki' values of 0.6 nM and 3.1 nM respectively, indicating inhibition of both the oxidized and reduced forms of xanthine oxidase [1]. in vivo: Febuxostat (5–6 mg/kg/day) combined with fructose significantly lowers blood pressure, UA, triglycerides, and insulin in rats compared with fructose alone. Febuxostat (5–6 mg/kg/day) combined with fructose also reduces glomerular pressure, renal vasoconstriction, and afferent arteriolar area in rats compared with fructose alone [2]. Febuxostat prevents hyperuricemia in 5/6 nephrectomy (5/6 Nx)+oxonic acid (OA)+Febuxostat(Fx) rats and ameliorates proteinuria, preserves renal function and prevents glomerular hypertension in both 5/6 nephrectomy (5/6 Nx)+vehicle (V)+Febuxostat(Fx) and 5/6 nephrectomy (5/6 Nx)+oxonic acid (OA)+Febuxostat(Fx) groups [3]. Febuxostat (5 mg/kg/d by gavage for 8 days) treatment after transverse aortic constriction (TAC) attenuates the TAC-induced left ventricular (LV) hypertrophy and dysfunction. Febuxostat blunts the TAC-induced increases in nitrotyrosine (indicating reduced myocardial oxidative stress), p-Erk(Thr202/Tyr204), and p-mTOR(Ser2488), with no effect on total Erk or total mTOR [4].

  • CAS Number: 144060-53-7
  • MF: C16H16N2O3S
  • MW: 316.375
  • Catalog: Xanthine Oxidase
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 536.6±60.0 °C at 760 mmHg
  • Melting Point: 238-239ºC
  • Flash Point: 278.3±32.9 °C

Ethyl 2-bromopropionate-d3

Ethyl 2-bromopropionate-d3 is the deuterium labeled Ethyl 2-bromopropionate[1].

  • CAS Number: 1398066-14-2
  • MF: C5H6D3BrO2
  • MW: 184.05
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

7-Propargyl-7,8-dihydro-8-oxo-9-(β-D-xylofuranosyl)guanine

7-Propargyl-7,8-dihydro-8-oxo-9-(β-D-xylofuranosyl)guanine 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: 2389988-31-0
  • MF: C13H15N5O6
  • MW: 337.29
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

E-982

E-982 is extracted from the reference, compound 12.

  • CAS Number: 858102-78-0
  • MF: C25H31NO6S
  • MW: 473.582
  • Catalog: Others
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 666.7±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 357.0±34.3 °C

Boc-NH-PEG7-NH2

Boc-NH-PEG7-NH2 is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 206265-98-7
  • MF: C21H44N2O9
  • MW: 468.58200
  • Catalog: PROTAC Linker
  • Density: 1.075g/cm3
  • Boiling Point: 547.7ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 285ºC

YMRF-NH2

YMRF-NH2 is a neuropeptide. YMRF-NH2 binds to FMRFa-R with an EC50 value of 31 nM[1][2].

  • CAS Number: 83903-32-6
  • MF: C29H42N8O5S
  • MW: 614.76
  • Catalog: Neurological Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

IEM 1754 2HBr

IEM-1754, a dicationic adamantane derivative, is a potent blocker of open channels of native ionotropic glutamate receptors including quisqualate-sensitive receptors in insect muscles, NMDAR in cultured rat cortical neurons, and AMPAR in freshly isolated hippocampal cells. IEM-1754 shows anticonvulsant potency in vivo[1][2].

  • CAS Number: 162831-31-4
  • MF: C16H32Br2N2
  • MW: 412.25
  • Catalog: iGluR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

KP-457

KP-457 is a selective a disintegrin and metalloproteinase 17 (ADAM17) inhibitor, with higher selectivity for ADAM17 than for other MMPs and ADAM10, and 5050s are 11.1 nM (ADAM17), 748 nM (ADAM10), 717 nM (MMP2), 9760 nM (MMP3), 2200 nM (MMP8), 5410 nM (MMP9), 930 nM (MMP13), 2140 nM (MMP14), and 7100 nM (MMP17), respectively.

  • CAS Number: 1365803-52-6
  • MF: C21H24N2O7S2
  • MW: 480.55
  • Catalog: MMP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Gentiournoside D

Gentiournoside D is a natural compound that can be found in G. asclepiadea extracts[1].

  • CAS Number: 157722-21-9
  • MF: C23H28O13
  • MW: 512.46
  • Catalog: Others
  • Density: N/A
  • Boiling Point: 769.7±60.0 °C(Predicted)
  • Melting Point: N/A
  • Flash Point: N/A

Fmoc-DON-Boc

Fmoc-DON-Boc (Compound 8b) is an Fmoc-protected compound that can be used for the synthesis of proagent of 6-diazo-5-oxo-L-norleucine (DON; HY-108357). DON is a glutamine antagonist[1].

  • CAS Number: 1998724-98-3
  • MF: C24H25N3O5
  • MW: 435.47
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

EDANS

EDANS (1,5-EDANS) is a novel and quenched fluorogenic substrate for assaying retroviral protease by resonance energy transfer (RET)[1].

  • CAS Number: 50402-56-7
  • MF: C12H14N2O3S
  • MW: 266.31600
  • Catalog: Others
  • Density: 1.432 g/cm3
  • Boiling Point: N/A
  • Melting Point: >350°C
  • Flash Point: N/A

Z-Asp-Glu-Val-Asp-chloromethylketone

Z-DEVD-CMK is an irreversible inhibitor of most of the cathepsins in vitro[1].

  • CAS Number: 250584-13-5
  • MF: C27H35ClN4O12
  • MW: 643.04
  • Catalog: Cathepsin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2’-O-Acetyl-5’-O-benzoyl-3’-O-methyl-5-methyl uridine

2’-O-Acetyl-5’-O-benzoyl-3’-O-methyl-5-methyl uridine is a thymidine analog. Analogs of this series have insertional activity towards replicated DNA. They can be used to label cells and track DNA synthesis[1].

  • CAS Number: 2305415-91-0
  • MF: C20H22N2O8
  • MW: 418.40
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2-Oleoylglycerol

2-Oleoylglycerol is a dietary naturally occurring lipid. 2-Oleoylglycerol is a GPR119 agonist, with an EC50 of 2.5 μM for human GPR119 in transiently transfected COS-7 cells. 2-Oleoylglycerol stimulates glucagon-like peptide-1 (GLP-1) secretion in vivo[1][2].

  • CAS Number: 3443-84-3
  • MF: C21H40O4
  • MW: 356.54000
  • Catalog: GPR119
  • Density: 0.969 g/cm3
  • Boiling Point: 485.4ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 113ºC

Ftaxilide

Ftaxilide is a novel antituberculosis agent.

  • CAS Number: 19368-18-4
  • MF: C16H15NO3
  • MW: 269.29500
  • Catalog: Bacterial
  • Density: 1.262g/cm3
  • Boiling Point: 375.3ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 180.8ºC