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

Todralazine

Todralazine is capable of reducing blood pressure preferentially in hypertension.

  • CAS Number: 14679-73-3
  • MF: C11H12N4O2
  • MW: 232.23900
  • Catalog: Cardiovascular Disease
  • Density: 1.328g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sennoside C

Sennoside C is an anthraquinone glycoside, found in leaves and pods of Senna (Cassia angustifolia)[1].

  • CAS Number: 37271-16-2
  • MF: C42H40O19
  • MW: 848.756
  • Catalog: Others
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 1130.3±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 344.4±27.8 °C

Z-LLY-FMK

Z-LLY-FMK (Calpain Inhibitor IV) is a calpain inhibitor, involved in apoptosis of many cell systems. Z-LLY-FMK inhibits the intestine apoptosis after common bile duct ligation[1].

  • CAS Number: 133410-84-1
  • MF: C30H40FN3O6
  • MW: 557.65
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Flibanserin-d4-1

Flibanserin-d4-1 is deuterium labeled Flibanserin. Flibanserin (BIMT-17) is a full agonist of the serotonin 5-HT1A receptor (Ki=1 nM) and an antagonist of 5-HT2A (49 nM). Flibanserin binds to dopamine D4 receptors (4-24 nM), and has negligible affinity for a variety of other neurotransmitter receptors and ion channels. Flibanserin is efficacious in treating hypoactive sexual desire disorder (HSDD)[1][2].

  • CAS Number: 2122830-91-3
  • MF: C20H17D4F3N4O
  • MW: 394.43
  • Catalog: 5-HT Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

COH29

COH29 is a potent ribonucleotide reductase (RNR) inhibitor with anticancer activity. COH29 inhibits α and β subunit of RNR with IC50s of 16 μM.

  • CAS Number: 1190932-38-7
  • MF: C22H16N2O5S
  • MW: 420.43800
  • Catalog: DNA/RNA Synthesis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Momordicoside F1

Momordicoside F1 is a triterpenoid that can be isolated from Momordica charantia[1].

  • CAS Number: 81348-81-4
  • MF: C37H60O8
  • MW: 632.87
  • Catalog: Others
  • Density: 1.20±0.1 g/cm3
  • Boiling Point: 711.4±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: N/A

Ceftazidime

Ceftazidime(GR20263) is an antibiotic useful for the treatment of a number of bacterial infections.Target: AntibacterialCeftazidime is an antibiotic useful for the treatment of a number of bacterial infections. It is a third-generation cephalosporin. As with all antibiotics, ceftazidime is not used to treat viral infections. Cephalosporins have activity against Gram-positive and Gram-negative bacteria. The balance of activity tips toward Gram-positive organisms for earlier generations; later generations of cephalosporins have more Gram-negative coverage. Ceftazidime is one of the few in this class with activity against Pseudomonas. It is not active against Methicillin-resistant Staphylococcus aureus. From Wikipedia.

  • CAS Number: 72558-82-8
  • MF: C22H22N6O7S2
  • MW: 546.576
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Dideoxycytidinene

Dideoxycytidinene (2′,3′-Didehydro-2′,3′-dideoxycytidine) 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: 7481-88-1
  • MF: C9H11N3O3
  • MW: 209.20
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

AZD9496 maleate

AZD9496 maleate is a potent and selective estrogen receptor (ERα)antagonist with IC50 of 0.28 nM.

  • CAS Number: 1639042-28-6
  • MF: C29H29F3N2O6
  • MW: 558.55
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2,4,6,6-tetramethyl-3(6H)-pyridone

2,4,6,6-Tetramethyl-3(6H)-pyridinone is a natural product that can be isolated from the tropical marine sponge Agelas oroides[1].

  • CAS Number: 203524-64-5
  • MF: C9H13NO
  • MW: 151.206
  • Catalog: Others
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 212.7±33.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 81.1±30.7 °C

Phenylethynylcarbinol carbamate

Phenylethynylcarbinol carbamate is a hypnotic agent[1].

  • CAS Number: 3567-38-2
  • MF: C10H9NO2
  • MW: 175.18400
  • Catalog: Neurological Disease
  • Density: 1.192g/cm3
  • Boiling Point: 320.2ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 165.2ºC

Impurity of Doxercalciferol

Impurity of Doxercalciferol is an impurity of doxercalciferol, which is a synthetic analog of ergocalciferol (vitamin D2), used as a drug for secondary hyperparathyroidism and metabolic bone disease, and it suppresses parathyroid synthesis and secretion.

  • CAS Number: 127516-23-8
  • MF: C28H44O2
  • MW: 412.64800
  • Catalog: VD/VDR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Bis-acrylate-PEG6

Bis-acrylate-PEG6 is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 85136-58-9
  • MF: C18H30O9
  • MW: 390.42500
  • Catalog: PROTAC Linker
  • Density: 1.101g/cm3
  • Boiling Point: 459.125ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 196.816ºC

VU534

VU534 is a NAPE-PLD activator, with an EC50 of 0.30 μM. VU534 is dual inhibitors of FAAH and sEH (IC50 of 1.2 μM). VU534 increases efferocytosis in a NAPE-PLD dependent manner. VU534 has the potential for cardiometabolic diseases study [1] .

  • CAS Number: 923509-20-0
  • MF: C21H22FN3O3S2
  • MW: 447.55
  • Catalog: FAAH
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Obafistat

Obafistat is a potent aldo-keto reductase AKR1C3 inhibitor with an IC50 of 1.2 nM for human AKR1C3 (patent WO2017202817A1, example 4)[1].

  • CAS Number: 2160582-57-8
  • MF: C15H16FN5O3S
  • MW: 365.38
  • Catalog: Inflammation/Immunology
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 623.3±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 330.8±34.3 °C

Cilostazol-d4

Cilostazol-d4 is deuterium labeled Cilostazol. Cilostazol (OPC 13013) is a potent and selective inhibitor of phosphodiesterase (PDE) 3A, the isoform of PDE 3 in the cardiovascular system, with an IC50 of 0.2 μM[1][2].

  • CAS Number: 1215541-47-1
  • MF: C20H23D4N5O2
  • MW: 373.49
  • Catalog: Autophagy
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

5-Aminosalicylic acid-d3

5-Aminosalicylic acid-d3 is the deuterium labeled 5-Aminosalicylic Acid. 5-Aminosalicylic acid (Mesalamine) acts as a specific PPARγ agonist and also inhibits p21-activated kinase 1 (PAK1) and NF-κB[1][2][3][4].

  • CAS Number: 1309283-32-6
  • MF: C7H4D3NO3
  • MW: 156.154
  • Catalog: PAK
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 403.9±40.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 198.1±27.3 °C

Nitrobenzylthioinosine

Nitrobenzylthioinosine is an ENT1 transporter inhibitor that binds to ENT1 transporter with high affinity. Nitrobenzylthioinosine is a photoaffinity probe for adenosine uptake sites in brain. Nitrobenzylthioinosine can cross the blood-brain barrier[1][2][3].

  • CAS Number: 38048-32-7
  • MF: C17H17N5O6S
  • MW: 419.412
  • Catalog: Adenosine Receptor
  • Density: 1.8±0.1 g/cm3
  • Boiling Point: 770.2±70.0 °C at 760 mmHg
  • Melting Point: 187-190 °C(lit.)
  • Flash Point: 419.6±35.7 °C

Sulbactam sodium

Sulbactam (CP45899) sodium is a competitive, irreversible beta-lactamase inhibitor. Sulbactam sodium shows antimicrobial activity against multidrug-resistant (MDR) acinetobacter calcoaceticus--Acinetobacter baumannii (Acb) complex[1][2].

  • CAS Number: 69388-84-7
  • MF: C8H10NNaO5S
  • MW: 255.223
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: 567.7ºC at 760 mmHg
  • Melting Point: 121-123 °C(lit.)
  • Flash Point: 297.1ºC

DP00477

DP00477 is a potent IDO1 (indoleamine 2,3-dioxygenase 1) inhibitor with an IC50 value of 7.0 µM. DP00477 has the potential for the research of cancer[1].

  • CAS Number: 169120-56-3
  • MF: C17H11ClF3N3OS
  • MW: 397.80
  • Catalog: Indoleamine 2,3-Dioxygenase (IDO)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

18-Azido-stearic acid

18-Azido-stearic acid is a click chemistry reagent containing an azide group. 18-Azido-stearic acid can be used as a hydrophobic bioconjugation linker (using N-Myristoyltransferase) that can be further modified at the azido-position using Click-chemistry[1].

  • CAS Number: 1529763-58-3
  • MF: C18H35N3O2
  • MW: 325.49
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2’-β-C-Methyl-5-methoxyuridine

2’-β-C-Methyl-5-methoxyuridine is a purine nucleoside analogue. 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: 2072145-45-8
  • MF:
  • MW:
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2,2'-Azobis(2-methylpropionamidine) dihydrochloride

AAPH (2,2'-Azodiisobutyramidine dihydrochloride) has an effect of radical generation. AAPH induces oxidative stress and erythrocyte hemolysis[1].

  • CAS Number: 2997-92-4
  • MF: C8H20Cl2N6
  • MW: 271.191
  • Catalog: Inflammation/Immunology
  • Density: 0.42
  • Boiling Point: 267ºC at 760 mmHg
  • Melting Point: 160-169 ºC
  • Flash Point: 115.3ºC

11(α)-hydroxyNepasaikosaponin k

11(α)-Hydroxynepasaikosaponin k (compound HOSSc) is a saikosaponin that can be found in B. scorzonerifolium Willd[1].

  • CAS Number: 1152168-63-2
  • MF: C48H80O19
  • MW: 961.14
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

LOXO-292

RET-IN-1 is a RET kinase inhibitor extracted from patent WO2018071447A1, Compound Example 552, has IC50s of 1 nM, 7 nM, and 101 nM for RET (WT), RET (V804M) , and RET (G810R), respectively [1].

  • CAS Number: 2222755-14-6
  • MF: C29H31N9O3
  • MW: 553.61
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Boc-Phe(2-Me)-OH

(S)-2-((tert-butoxycarbonyl)amino)-3-(o-tolyl)propanoic acid is a phenylalanine derivative[1].

  • CAS Number: 114873-05-1
  • MF: C15H21NO4
  • MW: 279.332
  • Catalog: Others
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 442.5±40.0 °C at 760 mmHg
  • Melting Point: 113ºC
  • Flash Point: 221.4±27.3 °C

A1/A3 AR antagonist 2

The compound is an a1/a3 adenosine receptor antagonist, which helps to treat (neurological) inflammatory diseases.

  • CAS Number: 2408833-02-1
  • MF: C22H16N2O3S
  • MW: 388.44
  • Catalog: Adenosine Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ammonium 1-pyrrolidinedithiocarbamate

Pyrrolidinedithiocarbamate ammonium is a selective NF-κB inhibitor.

  • CAS Number: 5108-96-3
  • MF: C5H12N2S2
  • MW: 164.292
  • Catalog: NF-κB
  • Density: 1.264g/cm3
  • Boiling Point: 199.7ºC at 760 mmHg
  • Melting Point: 153-155 °C(lit.)
  • Flash Point: 74.6ºC

​Menthyl acetate

​Menthyl acetate (L-Menthyl acetate) is a derivative of L-menthol. ​Menthyl acetate is effective to enhance 5-aminolevulinic acid (ALA) skin permeation[1].

  • CAS Number: 2623-23-6
  • MF: C12H22O2
  • MW: 198.302
  • Catalog: Others
  • Density: 0.9±0.1 g/cm3
  • Boiling Point: 229.1±8.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 92.2±0.0 °C

FMOC-3-L-ALA(2-THIENYL)-OH

Fmoc-3-Ala(2-thienyl)-OH is an alanine derivative[1].

  • CAS Number: 130309-35-2
  • MF: C22H19NO4S
  • MW: 393.456
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 617.3±55.0 °C at 760 mmHg
  • Melting Point: 218.5 °C
  • Flash Point: 327.1±31.5 °C