ONO-7579 - Moligand™ , Inhibitor of neurotrophic receptor tyrosine kinase 1;Inhibitor of neurotrophic receptor tyrosine kinase 2;Inhibitor of neurotrophic receptor tyrosine kinase 3, CAS No.O612517, Inhibitor of neurotrophic receptor tyrosine kinase 1;Inhibitor of neurotrophic receptor tyrosine kinase 2;Inhibitor of neurotrophic receptor tyrosine kinase 3

CAS: O612517 Cat. No.: O612517 PubChem CID: 78322573

GRADE & PURITY Moligand™

Synonyms

1-[2-[4-(2-amino-5-chloropyridin-3-yl)phenoxy]pyrimidin-5-yl]-3-[2-methylsulfonyl-5-(trifluoromethyl)phenyl]urea | NSC788104 | NSC-788104 | ONO 7579 | BDBM249337 | I62X02160W | US9463192, 15-104 | N-{2-[4-(2-Amino-5-chloropyridin-3-yl)phenoxy]pyrimidin-5-

Storage

Room temperature

Specifications

Synonyms

1-[2-[4-(2-amino-5-chloropyridin-3-yl)phenoxy]pyrimidin-5-yl]-3-[2-methylsulfonyl-5-(trifluoromethyl)phenyl]urea | NSC788104 | NSC-788104 | ONO 7579 | BDBM249337 | I62X02160W | US9463192, 15-104 | N-{2-[4-(2-Amino-5-chloropyridin-3-yl)phenoxy]pyrimidin-5-

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of neurotrophic receptor tyrosine kinase 1;Inhibitor of neurotrophic receptor tyrosine kinase 2;Inhibitor of neurotrophic receptor tyrosine kinase 3

Names and Identifiers

• Canonical Smiles: O=C(Nc1cc(ccc1S(=O)(=O)C)C(F)(F)F)Nc1cnc(nc1)Oc1ccc(cc1)c1cc(Cl)cnc1N
• IUPAC Name: 1-[2-[4-(2-amino-5-chloropyridin-3-yl)phenoxy]pyrimidin-5-yl]-3-[2-methylsulfonyl-5-(trifluoromethyl)phenyl]urea
• InChIKey: GYPOVJZOMXEUDO-UHFFFAOYSA-N
• INCHI: 1S/C24H18ClF3N6O4S/c1-39(36,37)20-7-4-14(24(26,27)28)8-19(20)34-22(35)33-16-11-31-23(32-12-16)38-17-5-2-13(3-6-17)18-9-15(25)10-30-21(18)29/h2-12H,1H3,(H2,29,30)(H2,33,34,35)
• Isomeric SMILES: CS(=O)(=O)C1=C(C=C(C=C1)C(F)(F)F)NC(=O)NC2=CN=C(N=C2)OC3=CC=C(C=C3)C4=C(N=CC(=C4)Cl)N
• PubChem CID: 78322573

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Diarylethers Trifluoromethylbenzenes N-phenylureas Benzenesulfonyl compounds Phenol ethers Phenoxy compounds Aminopyridines and derivatives Pyrimidines and pyrimidine derivatives Imidolactams Aryl chlorides Heteroaromatic compounds Sulfones Ureas Azacyclic compounds Alkyl fluorides Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Primary amines
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-phenylpyridine - Diaryl ether - N-phenylurea - Trifluoromethylbenzene - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Aminopyridine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Sulfonyl - Sulfone - Urea - Azacycle - Ether - Primary amine - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl fluoride - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organosulfur compound - Alkyl halide - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

NTRK2 Tclin BDNF/NT-3 growth factors receptor (0 Activities)

Discover Target: NTRK2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

NTRK1 Tclin High affinity nerve growth factor receptor (1 Activities)

Discover Target: NTRK1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

NTRK3 Tclin NT-3 growth factor receptor (0 Activities)

Discover Target: NTRK3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

NTRK1 Tclin Nerve growth factor receptor Trk-A (7922 Activities)

Discover Target: NTRK1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action