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

Manidipine-d4

Manidipine-d4 is the deuterium labeled Manidipine. Manidipine is a calcium channel blocker that is used clinically as an antihypertensive[1][2].

  • CAS Number: 1189656-59-4
  • MF: C35H34D4N4O6
  • MW: 614.724
  • Catalog: Calcium Channel
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 722.0±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 390.4±32.9 °C

A1AR antagonist 3

A1AR antagonist 3 (compound 13) is a selective adenosine 1 (A1) receptor antagonist with Kis of 9.69 nM and 0.529 nM for human A1 and rat A1, respectively. A1AR antagonist 3 can be used for researching neurological diseases[1].

  • CAS Number: 2413257-73-3
  • MF: C25H20N2O3S
  • MW: 428.50
  • Catalog: Adenosine Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2-Aminopurine-9-beta-D-(3’,5’-di-O-benzoyl-2’-deoxy-2’-fluoro)arabinoriboside

2-Aminopurine-9-beta-D-(3’,5’-di-O-benzoyl-2’-deoxy-2’-fluoro)arabinoriboside 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: 2095417-63-1
  • MF:
  • MW:
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2-Methylbenzoic acid

o-Toluic acid (2-Methylbenzoic acid) is a benzoic acid substituted by a methyl group at position 2. O-Toluic acid plays a role as a xenobiotic metabolite.

  • CAS Number: 118-90-1
  • MF: C8H8O2
  • MW: 136.148
  • Catalog: Others
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 260.9±9.0 °C at 760 mmHg
  • Melting Point: 103 °C
  • Flash Point: 118.8±13.4 °C

Flucloxacillin sodium

Flucloxacillin sodium is a highly active antibiotic against Gram-positive and Gram-negative bacteria.

  • CAS Number: 1847-24-1
  • MF: C19H16ClFN3NaO5S
  • MW: 475.854
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: 677.3ºC at 760 mmHg
  • Melting Point: 176-178ºC
  • Flash Point: 363.4ºC

Biotin-PEG6-azide

Biotin-PEG6-azide is a biotin-labeled, PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 1085938-09-5
  • MF: C24H44N6O8S
  • MW: 576.71
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Y-9738

Y-9738 is a hypolipidemic agent.

  • CAS Number: 59399-41-6
  • MF: C15H16ClNO4
  • MW: 309.74500
  • Catalog: Cardiovascular Disease
  • Density: 1.226g/cm3
  • Boiling Point: 416.2ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 205.5ºC

Patiromer

Patiromer is an orally active and potent hyperkalemia inhibitor and a nonabsorbed potassium binder. Patiromer polymer is bound with calcium which is released in the colon in exchange for binding potassium[1][2].

  • CAS Number: 1208912-84-8
  • MF: C28H48CaFO2+
  • MW:
  • Catalog: Potassium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

isogermafurenolide

Isogermafurenolide is a cytotoxic Terpenoids from the Wood of Vepris punctata from the Madagascar Rainforest[1].

  • CAS Number: 20267-89-4
  • MF: C15H20O2
  • MW: 232.32
  • Catalog: Others
  • Density: 1.02±0.1 g/cm3(Predicted)
  • Boiling Point: 357.6±42.0 °C(Predicted)
  • Melting Point: N/A
  • Flash Point: N/A

Ipragliflozin L-Proline

Ipragliflozin (L-Proline) is a highly potent and selective SGLT2 inhibitor with an IC50 of 2.8 nM; little and NO potency for SGLT1/3/4/5/6.

  • CAS Number: 951382-34-6
  • MF: C26H30FNO7S
  • MW: 519.58200
  • Catalog: SGLT
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Taniborbactam

Taniborbactam is a potent inhibitor of β-lactamase, with IC50s of <100 nM for SHV-5, KPC-2, VIM-2, and AmpC β-lactamase, and 0.1 to 1 μM for OXA-1 β-lactamase, used in the research of bacterial infections[1].

  • CAS Number: 1613267-49-4
  • MF: C19H28BN3O5
  • MW: 389.25
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ST 91

ST91 is a α2-adrenoceptor (α2AR) agonist. ST91 activates both α2AAR and non-α2AAR subtypes to produce spinal antinociception[1][2][3].

  • CAS Number: 4749-61-5
  • MF: C13H20ClN3
  • MW: 253.77100
  • Catalog: Adrenergic Receptor
  • Density: N/A
  • Boiling Point: 325.1ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 150.4ºC

Diethylcarbamazine Citrate

Diethylcarbamazine citrate is an inhibitor of arachidonic acid metabolism in filarial microfilaria; is highly specific for several parasites and does not contain any toxic metallic elements.

  • CAS Number: 1642-54-2
  • MF: C16H29N3O8
  • MW: 391.417
  • Catalog: Parasite
  • Density: N/A
  • Boiling Point: 297.4ºC at 760 mmHg
  • Melting Point: 140 °C
  • Flash Point: 116.6ºC

β-Amyloid (1-38), mouse, rat

β-Amyloid (1-38), mouse, rat is composed of 38 aa (1-38 residues of the Aβ peptide) and is the primary component of the amyloid plaques of Alzheimer’s disease[1].

  • CAS Number: 186359-66-0
  • MF: C180H273N49O55S1
  • MW: 4035.50
  • Catalog: Neurological Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

12R-LOX-IN-1

12R-LOX-IN-1 (Compound 4a) is a 12R-LOX inhibitor (IC50: 28.25 μM). 12R-LOX-IN-1 inhibits the hyper-proliferative state and colony forming potential of Imiquimod (HY-B0180)-induced psoriatic keratinocytes. 12R-LOX-IN-1 inhibits reactive oxygen species, Ki67, IL-17A, TNF-α and IL-6 production. 12R-LOX-IN-1 can be used for antipsoriatic research[1].

  • CAS Number: 857758-13-5
  • MF: C15H11NO2
  • MW: 237.25
  • Catalog: Inflammation/Immunology
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Raphin 1

Raphin1 is an orally bioavailable, selective inhibitor of the regulatory phosphatase PPP1R15B (R15B). Raphin1 binds strongly to the R15B-PP1c holophosphatase (Kd=33 nM), and shows ~30-fold selective in binding R15B-PP1c over R15A-PP1c. Raphin1 crosses the blood-brain barrier, and reduces organismal and molecular deficits in a mouse model of a protein misfolding disease[1].

  • CAS Number: 2022961-17-5
  • MF: C8H8Cl2N4
  • MW: 231.08
  • Catalog: Phosphatase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(Des-Ala3)-GHRP-2

(Des-Ala3)-GHRP-2 is a biologically active peptide.

  • CAS Number: 290312-22-0
  • MF: C42H50N8O5
  • MW: 746.897
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 1186.8±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 671.5±34.3 °C

L-threonolactone

L-Threonolactone ((3R,4S)-3,4-Dihydroxyoxolan-2-one) 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: 21730-93-8
  • MF: C4H6O4
  • MW: 118.09
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: 0.99g/cm3
  • Boiling Point: 277.8ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 101.3ºC

HIV protease-IN-1

HIV protease-IN-1 (compound 1·succinate) is a potent HIV protease non-peptidic inhibitor, can be used to research AIDS[1].

  • CAS Number: 2511547-82-1
  • MF: C39H40ClF7N10O7
  • MW: 929.24
  • Catalog: HIV Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CP742033

CP742033 is a gut-selective inhibitor of microsomal triglyceride transfer protein (MTP) that reliably produces weight loss in obese dogs.

  • CAS Number: 481658-94-0
  • MF: C40H33F3N4O3
  • MW: 674.710
  • Catalog: Metabolic Disease
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 821.2±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 450.5±34.3 °C

Soyasaponin II

Soyasaponin II is a saponin with antiviral activity. Soyasaponin II inhibits the replication of HSV-1, HCMV, influenza virus, and HIV-1. Soyasaponin II shows potent inhibition on HSV-1 replication. Soyasaponin II serves as a inhibitor for YB-1 phosphorylation and NLRP3 inflammasome priming and could protect mice against LPS/GalN induced acute liver failure[1][2].

  • CAS Number: 55319-36-3
  • MF: C47H76O17
  • MW: 913.09600
  • Catalog: CMV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

H-Leu-Ser-OH

H-Leu-Ser-OH is a dipeptide formed from L-leucine and L-serine residues and is a metabolite[1].

  • CAS Number: 6209-12-7
  • MF: C9H18N2O4
  • MW: 218.25000
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Neocryptotanshinone

Neocryptotanshinone, a fatty diterpenoids from Salvia Miltiorrhiza, inhibits lipopolysaccharide-induced inflammation by suppression of NF-κB and iNOS signaling pathways[1][2].

  • CAS Number: 109664-02-0
  • MF: C19H22O4
  • MW: 314.37600
  • Catalog: NO Synthase
  • Density: 1.255g/cm3
  • Boiling Point: 505.3ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 273.5ºC

14-deoxycaesalpin

(+)-14-Deoxy-ε-caesalpin (14-Deoxy-ε-caesalpin), a cassane diterpenoid, inhibits nitric oxide (NO) production release of RAW 264.7 cells stimulated by Lipopolysaccharide (LPS)[1].

  • CAS Number: 279683-46-4
  • MF: C24H34O6
  • MW: 418.52
  • Catalog: NO Synthase
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 487.0±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 248.3±28.7 °C

Dihydrochelerythrine

Dihydrochelerythrine is a natural compound isolated from the leaves of Macleaya microcarpa; has antifungal activity.IC50 value:Target: in vitro: Dihydrochelerythrine showed the highest antifungal activity against B. cinerea Pers, with 98.32% mycelial growth inhibition at 50 μg/mL. Dihydrochelerythrine inhibited spore germination in vitro in a concentration-dependent manner [1]. Dihydrochelerythrine appeared to be less cytotoxic since the viability of cells exposed to 20 microM dihydrochelerythrine for 24h was reduced only to 53%. A dose-dependent induction of apoptosis and necrosis by chelerythrine and dihydrochelerythrine was confirmed by annexin V/propidium iodide dual staining flow cytometry [2]. Dihydrochelerythrine (4) exhibited strong activity against methicillin-resistant Staphylococcus aureus SK1 and moderate activity against Escherichia coli TISTR 780 with MIC values of 8 and 16 μg/mL, respectively [3].

  • CAS Number: 6880-91-7
  • MF: C21H19NO4
  • MW: 349.380
  • Catalog: Fungal
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 565.9±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 171.6±27.3 °C

2-Methyl-5-hydroxy-6-(3-methyl-2-butenyl)-7-methoxy-4H-1-benzopyran-4-one

Peucenin 7-O-methyl ether is a natural product that can be isolated from the flowers of Rosa rugosa[1].

  • CAS Number: 13544-40-6
  • MF: C16H18O4
  • MW: 274.31200
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Alfuzosin-d3

Alfuzosin-d3 is deuterium labeled Alfuzosin.

  • CAS Number: 1006724-55-5
  • MF: C19H24D3N5O4
  • MW: 392.47
  • Catalog: Adrenergic Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

YM758

YM758 is a “funny” If current channel (If channel) inhibitor.

  • CAS Number: 312752-85-5
  • MF: C26H32FN3O4
  • MW: 469.548
  • Catalog: Potassium Channel
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 680.5±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 365.3±31.5 °C

1,23-Dibromo-3,6,9,12,15,18,21-heptaoxatricosane

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

  • CAS Number: 177987-04-1
  • MF: C16H32Br2O7
  • MW: 496.229
  • Catalog: PROTAC Linker
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 486.9±40.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 203.4±25.8 °C

Azido-PEG3-aminoacetic acid-NHS ester

Azido-PEG3-aminoacetic acid-NHS ester is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 2170240-91-0
  • MF: C14H23N5O7
  • MW: 373.36
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A