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

Paroxetine hydrochloride hydrate

Paroxetine hydrochloride hemihydrate is a potent selective serotonin-reuptake inhibitor, commonly prescribed as an antidepressant and has GRK2 inhibitory ability with IC50 of 14 μM.

  • CAS Number: 110429-35-1
  • MF: C19H22ClFNO3.5
  • MW: 374.83
  • Catalog: Autophagy
  • Density: 1.213g/cm3
  • Boiling Point: 451.7ºC at 760mmHg
  • Melting Point: 121-131ºC
  • Flash Point: 227ºC

Zylofuramine

Zylofuramine is a psychomotor stimulant[1].

  • CAS Number: 3563-92-6
  • MF: C14H21NO
  • MW: 219.32300
  • Catalog: Neurological Disease
  • Density: 1.006g/cm3
  • Boiling Point: 328.8ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 137.2ºC

(R)-2-AMINO-4-MERCAPTOBUTANOIC ACID

(R)-2-Amino-4-mercaptobutanoic acid is a cysteine derivative[1].

  • CAS Number: 6027-14-1
  • MF: C4H9NO2S
  • MW: 135.185
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 299.7±35.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 135.0±25.9 °C

Fructose

Fructose is a simple ketonic monosaccharide found in many plants, where it is often bonded to glucose to form the disaccharide sucrose.

  • CAS Number: 7660-25-5
  • MF: C6H12O6
  • MW: 180.156
  • Catalog: Cardiovascular Disease
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 551.7±50.0 °C at 760 mmHg
  • Melting Point: 100 - 110ºC
  • Flash Point: 301.5±26.6 °C

Chlorocholine-d9 chloride

Chlorocholine-d9 (chloride) is the deuterium labeled Chlorocholine chloride[1]. Chlorocholine chloride is an effective plant growth regulator. Chlorocholine chloride can inhibit gibberellin (GA) biosynthesis. Chlorocholine chloride can be used for the research of the mechanisms and effects of GA on plant cell growth and differentiation[2][3].

  • CAS Number: 1219257-11-0
  • MF: C5H4Cl2D9N
  • MW: 167.12500
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Azaperone

Azaperone (R-1929) acts as a dopamine antagonist but also has some antihistaminic and anticholinergic properties. Azaperone is a pyridinylpiperazine and butyrophenone neuroleptic drug with sedative and antiemetic effects, which is used mainly as a tranquilizer in veterinary medicine.

  • CAS Number: 1649-18-9
  • MF: C19H22FN3O
  • MW: 327.396
  • Catalog: Dopamine Receptor
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 499.5±45.0 °C at 760 mmHg
  • Melting Point: 92-95ºC
  • Flash Point: 255.9±28.7 °C

N3-L-Lys(Fmoc)-OH

N3-L-Lys(Fmoc)-OH is a click chemistry reagent containing an azide group[1].

  • CAS Number: 473430-12-5
  • MF: C21H22N4O4
  • MW: 394.42400
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Forsythoside E

Forsythoside E is a phenylethanoid glycoside isolated from the fruits of forsythia suspense (thunb.) vahl[1].

  • CAS Number: 93675-88-8
  • MF: C20H30O12
  • MW: 462.445
  • Catalog: Others
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 752.0±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 408.6±32.9 °C

Apremilast

Apremilast is an orally available inhibitor of type-4 cyclic nucleotide phosphodiesterase (PDE-4) with an IC50 of 74 nM.

  • CAS Number: 608141-41-9
  • MF: C22H24N2O7S
  • MW: 460.500
  • Catalog: Phosphodiesterase (PDE)
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 741.3±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 402.1±32.9 °C

(E)-Astringin

Astringin (trans-Astringin) is a natural glycoside found in the bark of Picea sitchensis and Picea abies (Norway spruce), in Vitis vinifera cell cultures and in wine. Astringin has potent antioxidant capacity and cancer-chemopreventive activity[1].

  • CAS Number: 29884-49-9
  • MF: C20H22O9
  • MW: 406.38300
  • Catalog: Cancer
  • Density: 1.593±0.06 g/cm3(Predicted)
  • Boiling Point: 756.1±60.0 °C(Predicted)
  • Melting Point: 218-220 °C
  • Flash Point: N/A

Mebeverine D6 Hydrochloride

Mebeverine D6 Hydrochloride is the deuterium labeled Mebeverine, which is an antimuscarinic.

  • CAS Number: 1329647-20-2
  • MF: C25H30D6ClNO5
  • MW: 472.04700
  • Catalog: Adrenergic Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Lymecycline

Lymecycline is a tetracycline derivative, with broad-spectrum antibacterial activity and also has anti-inflammatory property.

  • CAS Number: 992-21-2
  • MF: C29H38N4O10
  • MW: 602.63
  • Catalog: Bacterial
  • Density: 1.53
  • Boiling Point: 840.5ºC at 760 mmHg
  • Melting Point: 192.5°C
  • Flash Point: 462.1ºC

Alsevalimab

Alsevalimab is a human monoclonal antibody against B7-H4[1].

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

Rosuvastatin D3

Rosuvastatin D3 (ZD 4522 D3) is a deuterium labeled Rosuvastatin. Rosuvastatin (ZD 4522) is a competitive HMG-CoA reductase inhibitor with an IC50 of 11 nM[1]. Rosuvastatin potently blocks human ether-a-go-go related gene (hERG) current with an IC50 of 195 nM, delayed cardiac repolarization, and thereby prolonged action potential durations (APDs) and corrected QT interval (QTc) intervals[2].

  • CAS Number: 1133429-16-9
  • MF: C22H25D3FN3O6S
  • MW: 484.56
  • Catalog: Autophagy
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Phainanoid A

Phainanoid A is a unique dammarane-type triterpenoid.

  • CAS Number: 1643933-50-9
  • MF: C38H42O8
  • MW: 626.74
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

R18 TFA

R18 is a peptide antagonists of 14-3-3, with a KD of 70-90 nM. R18 efficiently blocks the binding of 14-3-3 to the kinase Raf-1, a physiological ligand of 14-3-3, and effectively abolished the protective role of 14-3-3 against phosphatase-induced inactivation of Raf-1[1].

  • CAS Number: 211364-78-2
  • MF: C101H157N27O29S3
  • MW: 2309.686
  • Catalog: Others
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2,5-Difluorobenzoic acid-d3

2,5-Difluorobenzoic acid-d3 is the deuterium labeled 2,5-Difluorobenzoic acid[1].

  • CAS Number: 1219798-63-6
  • MF: C7H4F2O2
  • MW: 158.102
  • Catalog: Others
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 244.7±20.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 101.8±21.8 °C

(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3,3-dimethylpentanoicacid

Fmoc-L-b-methylisoleucine is an amino acid derivative that can be used for compound synthesis[1].

  • CAS Number: 1227750-73-3
  • MF: C22H25NO4
  • MW: 367.44
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PG 34

PG 34 is a weak O-GlcNAc transferase (OGT) inhibitor (IC50=68 μM), and a close structural analog of OSMI-1 (HY-119738)[1].

  • CAS Number: 1681056-62-1
  • MF: C28H25N3O5S2
  • MW: 547.65
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sucantomotide

Sucantomotide is an immunological agent for active immunization (antineoplastic)[1].

  • CAS Number: 2378651-62-6
  • MF: C54H84N10O12S
  • MW: 1097.37
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Lamotrigine hydrate

Lamotrigine hydrate is a potent and orally active anticonvulsant or antiepileptic agent. Lamotrigine hydrate selectively blocks voltage-gated Na+ channels, stabilizing presynaptic neuronal membranes and inhibiting glutamate release. Lamotrigine hydrate can be used for the research of epilepsy, focal seizure, et al[1][2].

  • CAS Number: 375347-20-9
  • MF: C9H9Cl2N5O
  • MW: 274.11
  • Catalog: Autophagy
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Bromocriptine

Bromocriptine is a potent dopamine D2/D3 receptor agonist, which binds D2 dopamine receptor with pKi of 8.05±0.2.

  • CAS Number: 25614-03-3
  • MF: C32H40BrN5O5
  • MW: 654.59400
  • Catalog: Dopamine Receptor
  • Density: 1.52 g/cm3
  • Boiling Point: 891.3ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 492.8ºC

MIM1

MIM-1 is an inhibitor of myeloid cell factor 1 (Mcl-1).

  • CAS Number: 509102-00-5
  • MF: C17H21N3O3S
  • MW: 347.43200
  • Catalog: Bcl-2 Family
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

TL-895

TL-895 is a potent, orally active, ATP-competitive, and highly selective irreversible BTK inhibitor with an IC50 and a Ki of 1.5 nM and 11.9 nM, respectively[1]. TL-895 is used be for JAKi-relapsed/refractory myelofibrosis, acute myeloid leukemia, COVID-19 and cancer research[2][3][4].

  • CAS Number: 1415823-49-2
  • MF: C25H26FN5O2
  • MW: 447.50
  • Catalog: Btk
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

18:1 SM-d9

18:1 SM-d9 is deuterium labeled 18:1 SM.

  • CAS Number: 2260669-50-7
  • MF: C41H72D9N2O6P
  • MW: 738.12
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

NXY-059

Disufenton sodium (NXY-059) is the disulfonyl derivative of the neuroprotective spin trap phenylbutynitrone(PBN), both NXY-059, its parent PBN and their hydrolysis/oxidation product MNT are very powerful scavengers of free radicals. IC50 value:Target: Neuroprotectantin vitro: Disufenton sodium is more soluble than the spin trapping agent α-phenyl-N-tert-butyl nitrone (PBN) [1]. In an in vitro blood-brain barrier (BBB) model, 250 mM of Disufenton sodium administered at the onset or up to 4 h after oxygen glucose deprivation (OGD) produces a significant reduction in the increased BBB permeability caused by OGD. Furthermore, OGD produces a huge influx of tissue plasminogen activator across the BBB, which is substantially reduced by Disufenton sodium [2]. in vivo: Disufenton sodium reduces infarct volume in rats subjected to 2 hours of middle cerebral artery occlusion in a dose-dependent manner. At equimolar doses (3.0 mg/kg for Disufenton sodium and 1.4 mg/kg for PBN), Disufenton sodium is more efficacious than PBN. Similar results are obtained when a recovery period of 7 days is allowed. The window of therapeutic opportunity for Disufenton sodium is 3 to 6 hours after the start of recirculation [1]. Disufenton sodium, a free radical-trapping agent, has a substantial protective effect, lessening the disability caused by an experimentally induced stroke in a primate species. Disufenton sodium treatment reduces the overall amount of brain damage by >50% of saline-treatment values, with similar levels of protection afforded to both white and gray matter [3].

  • CAS Number: 168021-79-2
  • MF: C11H13NNa2O7S2
  • MW: 381.333
  • Catalog: Neurological Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Acetyldihydromicromelin A

Acetyldihydromicromelin A is a coumarin isolated from the leaves of Micromelum integerrimum[1].

  • CAS Number: 94285-22-0
  • MF: C17H16O7
  • MW: 332.305
  • Catalog: Others
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 487.1±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 217.0±28.8 °C

l-Atabrine dihydrochloride

l-Atabrine dihydrochloride is a less active enantiomer of quinacrine which displays antiprion activity.

  • CAS Number: 56100-42-6
  • MF: C23H32Cl3N3O
  • MW: 472.88
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Oroxin A

Oroxin A is the major component of an ethanol-water Oroxylum indicum (L.) Kurz (Bignoniaceae) seed extract (OISE), activates peroxisome proliferator-activated receptor γ (PPARγ) by docking into the PPARγ protein ligand-binding domain. Oroxin A exhibits an inhibitory activity against α-glucosidase and an antioxidant capacity[1]. Oroxin A exerts anti-breast cancer effects by inducing ER stress-mediated senescence[2].

  • CAS Number: 57396-78-8
  • MF: C21H20O10
  • MW: 432.378
  • Catalog: PARP
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 784.0±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 279.0±26.4 °C

diflufenican

Diflufenican is a contact, selective herbicide used to specifically control some broad leaved weeds[1].

  • CAS Number: 83164-33-4
  • MF: C19H11F5N2O2
  • MW: 394.295
  • Catalog: Others
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 376.2±42.0 °C at 760 mmHg
  • Melting Point: 110°C
  • Flash Point: 181.3±27.9 °C