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

(Rac)-BRD0705

(Rac)-BRD0705 is a less active racemate of BRD0705. BRD0705 is a potent, paralog selective and orally active GSK3α inhibitor with an IC50 of 66 nM and a Kd of 4.8 μM. BRD0705 displays increased selectivity for GSK3α (8-fold) versus GSK3β (IC50 of 515 nM). BRD0705 can be used for acute myeloid leukemia (AML)[1][2].

  • CAS Number: 1597440-03-3
  • MF: C20H23N3O
  • MW: 321.42
  • Catalog: GSK-3
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Volasertib trihydrochloride

Volasertib (BI 6727) trihydrochloride is an orally active, highly potent and ATP-competitive Polo-like kinase 1 (PLK1) inhibitor with an IC50 of 0.87 nM. Volasertib trihydrochloride inhibits PLK2 and PLK3 with IC50s of 5 and 56 nM, respectively. Volasertib trihydrochloride induces mitotic arrest and apoptosis. Volasertib trihydrochloride, a dihydropteridinone derivative, shows marked antitumor activity in multiple cancer models[1][2].

  • CAS Number: 946161-17-7
  • MF: C34H53Cl3N8O3
  • MW: 728.19500
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Lurasidone Inactive Metabolite 14283

Lurasidone Metabolite 14283 hydrochloride is a major active metabolite of Lurasidone. Lurasidone is a FDA approved drug for the treatment of schizophrenia.

  • CAS Number: 186204-32-0
  • MF: C28H37ClN4O3S
  • MW: 545.13600
  • Catalog: Neurological Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

FSBA

FSBA? hydrochloride is a useful reagent for the affinity labeling of adenine nucleotide binding proteins and is mainly applied in the study of purified The labeling and subsequent detection of? these proteins can be blocked by including an excess of MgATP, which competes with FSBA for nucleotidebinding sites[1].

  • CAS Number: 78859-42-4
  • MF: C17H17ClFN5O7S
  • MW: 489.863
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Fluticasone propionate

Fluticasone propionate is a high affinity, selective GR (glucocorticoid receptor) agonist which is derived from fluticasone used to treat asthma and allergic rhinitis.Target: Glucocorticoid ReceptorFluticasone propionate is a corticosteroid derived from fluticasone used to treat asthma and allergic rhinitis. It is also used to treat eosinophilic esophagitis. Fluticasone propionate is a synthetic trifluorinated glucocorticoid. It is highly lipophilic (logp octanol/water 3.69). In studies the topical drug has been associated with burning, stinging, skin irritation, blisters, dryness, skin infection, infected eczema, viral warts,impetigo, atopic dermatitis, pruritus, exacerbation of pruritus, exacerbation of eczema, erythema, and folliculitis.There are also numerous side effects associated with the oral version of this medication including headache, stuffy or runny nose, difficulty speaking, sore or irritated throat and painful white patches in the mouth or throat. Candidiasis of mouth and throat is reported as a "very common" side effect indicating that it occurs with a frequency greater than 1 in 10.Hoarseness is "common" indicating a frequency from 1 in 10 to 1 in 100. In both instances rinsing the mouth with water immediately after inhalation is recommended.

  • CAS Number: 80474-14-2
  • MF: C25H31F3O5S
  • MW: 500.571
  • Catalog: Glucocorticoid Receptor
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 568.3±50.0 °C at 760 mmHg
  • Melting Point: 275 °C
  • Flash Point: 297.5±30.1 °C

2’-Amino-2’-deoxy-5-methylcytidine

2’-Amino-2’-deoxy-5-methylcytidine 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: 869729-45-3
  • MF:
  • MW:
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Xipamide

Xipamide is a sulfonamide-based diuretic. Xipamide is an antihypertensive agent able to selectively inhibit the anion exchanger (AE)[1].

  • CAS Number: 14293-44-8
  • MF: C15H15ClN2O4S
  • MW: 354.809
  • Catalog: Cardiovascular Disease
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: 255-256ºC
  • Flash Point: N/A

Ailanthone

Ailanthone (Δ13-Dehydrochaparrinone) is a potent inhibitor of both full-length androgen receptor (AR) (IC50=69 nM) and constitutively active truncated AR splice variants (AR1-651 IC50=309 nM).

  • CAS Number: 981-15-7
  • MF: C20H24O7
  • MW: 376.400
  • Catalog: Others
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 641.0±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 231.6±25.0 °C

Boc-D-Glutamine

5-Amino-2-((tert-butoxycarbonyl)amino)-5-oxopentanoic acid is a glutamine derivative[1].

  • CAS Number: 61348-28-5
  • MF: C10H18N2O5
  • MW: 246.260
  • Catalog: Others
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 509.1±45.0 °C at 760 mmHg
  • Melting Point: 117-119ºC
  • Flash Point: 261.7±28.7 °C

CYCLO(-ASP-ASP)

Cyclo(Asp-Asp) is aCyclic dipeptide.

  • CAS Number: 35309-53-6
  • MF: C8H10N2O6
  • MW: 230.17
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

N2-iso-Butyroyl-7'-O-DMT-morpholinoguanine

N2-iso-Butyroyl-7'-O-DMT-morpholinoguanine is a guanosine analog. Some guanosine analogs have immunostimulatory activity. In some animal models, they also induce type I interferons, producing antiviral effects. Studies have shown that the functional activity of guanosine analogs is dependent on the activation of Toll-like receptor 7 (TLR7)[1].

  • CAS Number: 2243974-78-7
  • MF: C35H38N6O6
  • MW: 638.71
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

1-Octanol

1-Octanol (Octanol), a saturated fatty alcohol, is a T-type calcium channels (T-channels) inhibitor with an IC50 of 4 μM for native T-currents[1]. 1-Octanol is a highly attractive biofuel with diesel-like properties[2].

  • CAS Number: 111-87-5
  • MF: C8H18O
  • MW: 130.22800
  • Catalog: Calcium Channel
  • Density: 0.827 g/mL at 25 °C(lit.)
  • Boiling Point: 196 °C(lit.)
  • Melting Point: −15 °C(lit.)
  • Flash Point: 178 °F

Podophyllotoxin β-D-glucoside

Podophyllotoxin glucoside is a podophyllotoxin derivative, has anti-tumor effects[1].

  • CAS Number: 16481-54-2
  • MF: C28H32O13
  • MW: 576.546
  • Catalog: Cancer
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 781.3±60.0 °C at 760 mmHg
  • Melting Point: 152-154℃
  • Flash Point: 258.2±26.4 °C

[18F]-Labeled L-dopa precursor

[18F]-Labeled L-dopa precursor is a precursor for synthesis of 18F-labeled L-dopa extracted from patent WO2014095739A1, example 8[1].

  • CAS Number: 1614253-58-5
  • MF: C35H36N2O7
  • MW: 596.67
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Dihydrocurcumenone

Dihydrocurcumenone is a carabrane-type sesquiterpene. Dihydrocurcumenone can be isolated from Curcuma zedoaria, and the common form is 4-dihydrocurcumenone. Curcuma zedoaria sesquiterpene has vascular relaxation activity. 4-dihydrocurcumenone can inhibit the high concentration of K+ induced constriction of isolated rat aortic strips[1].

  • CAS Number: 142717-57-5
  • MF: C15H24O2
  • MW: 236.35000
  • Catalog: Cardiovascular Disease
  • Density: 1.042g/cm3
  • Boiling Point: 349.6ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 148.9ºC

Mefentrifluconazole

Mefentrifluconazole is a novel azole derivative and used as an agrochemical broad-spectrum antifungal agent. Mefentrifluconazole is a potent, selective and orally active fungal CYP51 (Kd= 0.5 nM) inhibitor, but shows less inhibitory activity on human aromatase (IC50=0.92 μM)[1].

  • CAS Number: 1417782-03-6
  • MF: C18H15ClF3N3O2
  • MW: 397.77900
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Idelalisib D5

Idelalisib D5 is a deuterium labeled Idelalisib. Idelalisib is a highly selective and orally bioavailable p110δ inhibitor[1].

  • CAS Number: 1830330-31-8
  • MF: C22H13D5FN7O
  • MW: 420.45
  • Catalog: Autophagy
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

5'-O-TBDMS-N2-ibu-dG

5'-O-TBDMS-N2-ibu-dG is a nucleoside derivative and can be used for lead compounds synthesis with anti-bovine viral diarrhea virus activity[1].

  • CAS Number: 85326-10-9
  • MF: C20H33N5O5Si
  • MW: 451.59200
  • Catalog: DNA/RNA Synthesis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Baloramotide

Baloramotide is a recombinant NY-ESO-1 protein containing 182 amino acids. Baloramotide increases the immune response against tumors[1].

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

trans-2-Phenylcyclopropylamine hemisulfate salt

Tranylcypromine hemisulfate is an irreversible, nonselective MAO inhibitor used in the treatment of depression.

  • CAS Number: 13492-01-8
  • MF: C9H12NO2S0.5
  • MW: 182.23
  • Catalog: Histone Demethylase
  • Density: 1.065g/cm3
  • Boiling Point: 218.3ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 90.8ºC

4'-C-azido-2'-deoxy-2'-fluoro-beta-D-arabinouridine

4’-Azido-2’-deoxy-2’-fluoro-beta-D-arabinouridine is a uridine analogue. Uridine has potential antiepileptic effects, and its analogs can be used to study anticonvulsant and anxiolytic activities, as well as to develop new antihypertensive agents[1].

  • CAS Number: 173379-73-2
  • MF: C9H10FN5O5
  • MW: 287.20
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SYK/JAK-IN-1

SYK/JAK-IN-1 is dual SYK/JAK inhibitor with IC50s of <5 nM for SYK and JAK2, respectively[1].

  • CAS Number: 2737326-28-0
  • MF: C24H26N8O3
  • MW: 474.52
  • Catalog: JAK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Abacavir (sulfate)

Abacavir monosulfate is a competitive, orally active nucleoside reverse transcriptase inhibitor. Abacavir monosulfate can inhibits the replication of HIV. Abacavir monosulfate shows anticancer activity in prostate cancer cell lines. Abacavir monosulfate can trespass the blood-brain-barrier and suppresses telomerase activity[1][2][3].

  • CAS Number: 216699-07-9
  • MF: C14H20N6O5S
  • MW: 384.411
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Orexin receptor antagonist 2

Orexin receptor antagonist 2 (compound 30) is a potent orexin receptor antagonist with pKis of 7.69 and 9.78. Orexin receptor antagonist 2 has the potential for the research of insomnia[1].

  • CAS Number: 1457940-75-8
  • MF: C25H31N5O2
  • MW: 433.55
  • Catalog: Orexin Receptor (OX Receptor)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

L-Aspartic acid,N-benzoyl-

N-benzoyl-L-aspartic acid, a major metabolite of benzyl glucosinolate, can be used for modification of peptides or proteins[1].

  • CAS Number: 4631-12-3
  • MF: C11H11NO5
  • MW: 237.20900
  • Catalog: Others
  • Density: 1.404g/cm3
  • Boiling Point: 502ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 257.4ºC

Azapropazone

Azapropazone is a nonsteroidal anti-inflammatory drug (NSAID). Azapropazone can be used for the research of rheumatoid arthritis and other rheumatoid conditions[1].

  • CAS Number: 13539-59-8
  • MF: C16H20N4O2
  • MW: 300.36
  • Catalog: Inflammation/Immunology
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 438.0±38.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 218.7±26.8 °C

Hsp90-Cdc37-IN-3

Hsp90-Cdc37-IN-3 (Compound 9) is a novel celastrol−imidazole derivative with anticancer activity. Hsp90-Cdc37-IN-3 inhibits Hsp90−Cdc37 by covalent-binding, and induces apoptosis[1].

  • CAS Number: 2361009-68-7
  • MF: C35H44ClN3O6
  • MW: 638.19
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Win 18446

Win 18446 is an orally active testes-specific enzyme ALDH1a2 inhibitor, with an IC50 of 0.3 μM. Win 18446 reversibly inhibits spermatogenesis in many species and inhibits Retinoic acid (HY-14649) biosynthesis from Retinol (HY-B1342) within the testes[1][2].

  • CAS Number: 1477-57-2
  • MF: C12H20Cl4N2O2
  • MW: 366.111
  • Catalog: Aldehyde Dehydrogenase (ALDH)
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 530.2±50.0 °C at 760 mmHg
  • Melting Point: 118-120ºC
  • Flash Point: 274.5±30.1 °C

Methyl rosmarinate

Methyl rosmarinate is a noncompetitive tyrosinase inhibitor which is isolated from Rabdosia serra, with an IC50 of 0.28 mM for mushroom tyrosinase, and also inhibits a-glucosidase[1].

  • CAS Number: 99353-00-1
  • MF: C19H18O8
  • MW: 374.341
  • Catalog: Tyrosinase
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 655.4±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 236.5±25.0 °C

PDK4-IN-1

PDK4-IN-1 is an anthraquinone derivative and a potent and orally active pyruvate dehydrogenase kinase 4 (PDK4) inhibitor with an IC50 value of 84 nM. PDK4-IN-1 potently represses cellular transformation and cellular proliferation and induces apoptosis. PDK4-IN-1 has antidiabetic, anticancer and anti-allergic activity[1].

  • CAS Number: 2310262-10-1
  • MF: C22H19N3O2
  • MW: 357.41
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A