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

N-(Methoxycarbonyl)-D-Valine Methyl Ester

N-(Methoxycarbonyl)-D-valine methyl ester is an amino acid derivative that can be used for compound synthesis[1].

  • CAS Number: 153575-98-5
  • MF: C8H15NO4
  • MW: 189.209
  • Catalog: Others
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 266.8±23.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 115.2±22.6 °C

SARS-CoV-2 3CLpro-IN-16

SARS-CoV-2 3CLpro-IN-16 (Compound 3a) is a covalent SARS-CoV-2 3CLpro inhibitor (IC50s: 2.124 μM). SARS-CoV-2 3CLpro-IN-16 binds to the active site and forms a covalent bond with Cys145 of 3CLpro[1].

  • CAS Number: 352659-40-6
  • MF: C17H14N2OS
  • MW: 294.37
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cyclosporine

Cyclosporin is a cyclic decapeptide that could be isolated form the soil fungi Tolypocladium inflatum. Cyclosporin is an immunosuppressant thought to bind to cyclophilin in T-lymphocytes[1].

  • CAS Number: 79217-60-0
  • MF: C62H111N11O12
  • MW: 1202.611
  • Catalog: Inflammation/Immunology
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 1293.8±65.0 °C at 760 mmHg
  • Melting Point: 148-151ºC
  • Flash Point: 736.3±34.3 °C

2-(Pyridin-3-yl)quinazolin-4(1H)-one

WAY-608119 is an active molecule.

  • CAS Number: 50362-93-1
  • MF: C13H9N3O
  • MW: 223.23000
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ML 354

ML354 is a selective PAR4 antagonist with an IC50 of 140 nM[1].

  • CAS Number: 89159-60-4
  • MF: C16H14N2O3
  • MW: 282.29400
  • Catalog: Protease-Activated Receptor (PAR)
  • Density: 1.29g/cm3
  • Boiling Point: 544ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 282.8ºC

Cobitolimod

Cobitolimod is a DNA oligonucleotide agonist of TLR-9 with anti-inflammatory activity. Cobitolimod suppresses Th17 cells and induces anti-inflammatory FoxP3 and IL-10 expression, inhibiting the IL-17 signaling pathway[1].

  • CAS Number: 1226822-98-5
  • MF: C185H233N73O106P18S6
  • MW: 5925.20
  • Catalog: Toll-like Receptor (TLR)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SCR-1481B1

SCR-1481B1 (c-Met inhibitor 2) is a potent compound that has activity against cancers dependent upon Met activation and also has activity against cancers as a VEGFR inhibitor.

  • CAS Number: 1174161-86-4
  • MF: C28H29ClF2N5O10P
  • MW: 699.98
  • Catalog: c-Met/HGFR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Influenza Matrix Protein (61-72)

Influenza Matrix Protein (61-72) is a peptide fragment derived from matrix protein of influenza viruses, corresponds to amino acids 61-72. Influenza Matrix Protein (61-72) is a specific epitope which can induce CD4+ T-cell response[1].

  • CAS Number: 1286245-45-1
  • MF: C63H97N15O18
  • MW: 1352.60
  • Catalog: Infection
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

G-Glu-Ser

Activator of calcium receptor; Flavor-enriching agent

  • CAS Number: 5875-35-4
  • MF: C8H14N2O6
  • MW: 234.21
  • Catalog: Metabolic Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Saphenamycin

Saphenamycin is an antibiotic from a strain of Streptomyces.

  • CAS Number: 634600-55-8
  • MF: C23H18N2O5
  • MW: 402.4
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Fosetyl-aluminum

Fosetyl-aluminum (Fosetyl-Al) is an active ingredient in many fungicides against downy mildew. Fosetyl-aluminum is used to control many diseases caused by Phytophthora spp. on agricultural and horticultural crops[1][2].

  • CAS Number: 39148-24-8
  • MF: C2H7O3P.1/3Al
  • MW: 354.104
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: >300ºC
  • Flash Point: N/A

Kaempferol-3-O-(6''-O-cis-coumaryl)glucoside

cis-Tiliroside, a kaempferol derivative, is a flavonoid glycoside. cis-Tiliroside exhibits better cytotoxic activity than trans-Tiliroside in A549 cell line[1].

  • CAS Number: 163956-16-9
  • MF: C30H26O13
  • MW: 594.52
  • Catalog: Cancer
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 943.9±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 311.9±27.8 °C

Tr-PEG3-OH

Tr-PEG3-OH is a non-cleavable 3 unit PEG ADC linker used in the synthesis of antibody-drug conjugates (ADCs).

  • CAS Number: 133699-09-9
  • MF: C25H28O4
  • MW: 392.48700
  • Catalog: ADC Linker
  • Density: 1.126±0.06 g/cm3(Predicted)
  • Boiling Point: 521.8±45.0 °C(Predicted)
  • Melting Point: N/A
  • Flash Point: N/A

2R,4S-Sacubitril

2R,4S-Sacubitril is the impurity of Sacubitril. Sacubitril is approved by the Food and Drug Administration for use in combination with valsartan for the treatment of patients with heart failure.

  • CAS Number: 761373-05-1
  • MF: C24H29NO5
  • MW: 411.491
  • Catalog: Cardiovascular Disease
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 656.9±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 351.1±31.5 °C

IDO1-IN-2

IDO1-IN-2 (compound 16) is a potent and selective IDO1 inhibitor with IC50s of 81 nM, 59 nM (mouse) and 28 nM (rat), respectively. IDO1-IN-2 has anti-cancer activity[1].

  • CAS Number: 2346614-58-0
  • MF: C15H17FN6O4
  • MW: 364.33
  • Catalog: Indoleamine 2,3-Dioxygenase (IDO)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

H-b-HoLys-OH·2HCl

L-β-Homolysine dihydrochloride is a lysine derivative[1].

  • CAS Number: 290835-83-5
  • MF: C7H18Cl2N2O2
  • MW: 233.136
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2,3,23-Trihydroxy-12-oleanen-28-oic acid

Isoarjunolic acid (2α,3α,23-Trihydroxyolean-12-en-28-oic acid) is a triterpenoid, can be isolated from the stems of Cornus kousa. Isoarjunolic acid could have free radical scavenging activity and elastase inhibition activity [1].

  • CAS Number: 102519-34-6
  • MF: C30H48O5
  • MW: 488.699
  • Catalog: Others
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 606.0±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 334.3±28.0 °C

UNC1999

UNC1999 is a SAM-competitive, potent and selective inhibitor of EZH1/2 with IC50s of 10 nM and 45 nM, repectively.

  • CAS Number: 1431612-23-5
  • MF: C33H43N7O2
  • MW: 569.740
  • Catalog: Autophagy
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 804.7±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 440.4±34.3 °C

(Des-His6)-ACTH (1-24) (human, bovine, rat) trifluoroacetate salt

(Des-His6)-ACTH (1-24) (human, bovine, rat) is an analogue of Adrenocorticotropic hormone (ACTH; HY-106373). ACTH is a polypeptide tropic hormone produced by the anterior pituitary gland, regulating cortisol and androgen production[1].

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

Gatifloxacin

Gatifloxacin is an antibiotic of the fourth-generation fluoroquinolone family, it inhibits the bacterial enzymes DNA gyrase and topoisomerase IV.Target: AntibacterialGatifloxacin is an antibiotic of the fourth-generation fluoroquinolone family, that like other members of that family, inhibits the bacterial enzymes DNA gyrase and topoisomerase IV. Gatifloxacin had activity equal to that of tosufloxacin and activity more potent than those of norfloxacin, ofloxacin, ciprofloxacin, and sparfloxacin against the second-step mutants (grlA gyrA; gatifloxacin MIC range, 1.56 to 3.13 microg/ml) and had the most potent activity against the third-step mutants (grlA gyrA grlA; gatifloxacin MIC range, 1.56 to 6.25 microg/ml), suggesting that gatifloxacin possesses the most potent inhibitory activity against singly mutated topo IV and singly mutated DNA gyrase among the quinolones tested [1].Ophthalmic gatifloxacin 0.3% is at least as effective as ciprofloxacin at healing corneal ulcers infected with Pseudomonas aeruginosa when gatifloxacin is administered less frequently than ciprofloxacin. Trends favored gatifloxacin in fluorescein retention scores [2].Clinical indications: Bacterial infection FDA Approved Date: Toxicity: Hepatotoxicity; Acute pancreatitis [3]; Torsades de pointes [4]

  • CAS Number: 112811-59-3
  • MF: C19H22FN3O4
  • MW: 375.394
  • Catalog: Bacterial
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 607.8±55.0 °C at 760 mmHg
  • Melting Point: 162°C
  • Flash Point: 321.4±31.5 °C

Tyk2-IN-9

Tyk2-IN-9 (Compound 26) is a selective Tyk-2 inhibitor with IC50s of 0.076 and 1.8 nM for TYK2-JH2 and JAK1-JH2, respectively. Tyk2-IN-9 can be used for the research of inflammatory or autoimmune disease[1].

  • CAS Number: 2694816-85-6
  • MF: C21H25N9O3
  • MW: 451.48
  • Catalog: JAK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

N-(2,4-dinitrophenyl)-Glycine

N-(2,4-Dinitrophenyl)glycine is a Glycine (HY-Y0966) derivative[1].

  • CAS Number: 1084-76-0
  • MF: C8H7N3O6
  • MW: 241.15800
  • Catalog: Others
  • Density: 1.678g/cm3
  • Boiling Point: 518.9ºC at 760mmHg
  • Melting Point: 200 °C(dec.)
  • Flash Point: 267.6ºC

ximelagatran

Ximelagatran (H 376/95) is an orally active thrombin inhibitor that selectively and competitively inhibits both free and clot-bound thrombin. Ximelagatran is an anticoagulant agent with a rapid onset of anticoagulant effect, predictable, dose-dependent pharmcokinetics and pharmacodynamics[1][2].

  • CAS Number: 192939-46-1
  • MF: C24H35N5O5
  • MW: 473.565
  • Catalog: Thrombin
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Phortress free base

Phortress free base (NSC 710305) is a P450 CYP1A1-activated antitumor prodrug with antitumor activity[1]. Phortress free base leads to DNA damage and cell cycle arrest[2].

  • CAS Number: 741241-36-1
  • MF: C20H23FN4OS
  • MW: 386.49
  • Catalog: Cytochrome P450
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cyclopropane-carbonyl Chloride-d5

Cyclopropane-carbonyl Chloride-d5 is the deuterium labeled Cyclopropanecarboxylic acid chloride[1].

  • CAS Number: 1219794-96-3
  • MF: C4D5ClO
  • MW: 109.566
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 119.0±0.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 23.3±0.0 °C

Algae bloom standard, Algae bloom toxin, Biotoxin, Cyanobacterial toxin

Microcystin-LF is a bacterial metabolite. Microcystin-LF is a phenylalanine variant of Microcystin-LR. Microcystin-LF has cellular toxicity on Caco-2 cells[1][2].

  • CAS Number: 154037-70-4
  • MF: C52H71N7O12
  • MW: 986.16
  • Catalog: Cancer
  • Density: 1.25g/cm3
  • Boiling Point: 1276.7ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 725.9ºC

9H-Purine, 6-methyl-9-b-D-ribofuranosyl-

6-Methylpurine riboside 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: 14675-48-0
  • MF: C11H14N4O4
  • MW: 266.25
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: 1.81 g/cm3
  • Boiling Point: 590.4ºC
  • Melting Point: N/A
  • Flash Point: 310.9ºC

5'-Fluoroindirubinoxime

5'-Fluoroindirubinoxime (5’-FIO, compound 13), an Indirubin (HY-N0117) derivative, is a potent FLT3 inhibitor, with an IC50 of 15 nM[1].

  • CAS Number: 861214-33-7
  • MF: C16H10FN3O2
  • MW: 295.26800
  • Catalog: FLT3
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2,2,6,6-tetramethyl-4 piperidone

Triacetonamine is useful as an intermediate for the synthesis of pharmaceutical products, pesticides and photostabilizers for polymers. Triacetonamine is an artifact of plant and fungal extracts using acetone and ammonium hydroxide or natural occurrence of ammonium salts in various steps of the isolation procedures. TAA is the main component of the pyrolysis oil[1].

  • CAS Number: 826-36-8
  • MF: C9H17NO
  • MW: 155.237
  • Catalog: Others
  • Density: 0.9±0.1 g/cm3
  • Boiling Point: 205.6±15.0 °C at 760 mmHg
  • Melting Point: 59-61 °C
  • Flash Point: 73.2±20.5 °C

EP3

EP3 is an antimicrobial peptide. EP3 has antibacterial and antifungal activities. EP3 inhibits E. gallinarum, P. pyocyanea, A. baumanii, K. terrigena with a MIC value of 12.85 μg/mL. EP3 also shows antitumor activity against cancer cells, and induces cell apoptosis[1].

  • CAS Number: 749252-79-7
  • MF: C21H37N5O8S
  • MW: 519.61
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A