5-(1-piperidin-4-ylpyrazol-4-yl)-3-(6-pyrrolidin-1-yl-1,3-benzoxazol-2-yl)pyridin-2-amine - Moligand™ , Inhibitor of beta adrenergic receptor kinase 1;Inhibitor of G protein-coupled receptor kinase 5;Inhibitor of MET proto-oncogene; receptor tyrosine kina, Inhibitor of beta adrenergic receptor kinase 1;Inhibitor of G protein-coupled receptor kinase 5;Inhibitor of MET proto-oncogene; receptor tyrosine kinase

CAS: P608864 Cat. No.: P608864 PubChem CID: 44256277

GRADE & PURITY Moligand™

Synonyms

compound 1o

Storage

Room temperature

Specifications

Synonyms

compound 1o

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of beta adrenergic receptor kinase 1;Inhibitor of G protein-coupled receptor kinase 5;Inhibitor of MET proto-oncogene; receptor tyrosine kinase

Names and Identifiers

• Canonical Smiles: Nc1ncc(cc1c1nc2c(o1)cc(cc2)N1CCCC1)c1cnn(c1)C1CCNCC1
• IUPAC Name: 5-(1-piperidin-4-ylpyrazol-4-yl)-3-(6-pyrrolidin-1-yl-1,3-benzoxazol-2-yl)pyridin-2-amine
• InChIKey: MWVKLRSIDOXBSE-UHFFFAOYSA-N
• INCHI: 1S/C24H27N7O/c25-23-20(24-29-21-4-3-19(12-22(21)32-24)30-9-1-2-10-30)11-16(13-27-23)17-14-28-31(15-17)18-5-7-26-8-6-18/h3-4,11-15,18,26H,1-2,5-10H2,(H2,25,27)
• Isomeric SMILES: C1CCN(C1)C2=CC3=C(C=C2)N=C(O3)C4=C(N=CC(=C4)C5=CN(N=C5)C6CCNCC6)N
• PubChem CID: 44256277

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Pyrazolylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazolylpyridines
• Alternative Parents: Benzoxazoles Dialkylarylamines Aminopyridines and derivatives Benzenoids Imidolactams Piperidines Heteroaromatic compounds Pyrazoles Oxazoles Pyrrolidines Azacyclic compounds Dialkylamines Oxacyclic compounds Organooxygen compounds Hydrocarbon derivatives Primary amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-pyrazolylpyridine - Benzoxazole - Dialkylarylamine - Aminopyridine - Piperidine - Benzenoid - Imidolactam - Heteroaromatic compound - Azole - Oxazole - Pyrazole - Pyrrolidine - Tertiary amine - Oxacycle - Secondary aliphatic amine - Secondary amine - Azacycle - Organic oxygen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrazolylpyridines. These are compounds containing a pyrazolylpyridine skeleton, which consists of a pyrazole linked (not fused) to a pyridine by a 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)

MET Tclin Hepatocyte growth factor receptor (2 Activities)

Discover Target: MET

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

GRK2 Tchem Beta-adrenergic receptor kinase 1 (1 Activities)

Discover Target: GRK2

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

GRK5 Tchem G protein-coupled receptor kinase 5 (1 Activities)

Discover Target: GRK5

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

GRK2 Tchem G-protein coupled receptor kinase 2 (1019 Activities)

Discover Target: GRK2

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

MET Tclin Hepatocyte growth factor receptor (10718 Activities)

Discover Target: MET

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

ALK Tclin ALK tyrosine kinase receptor (7132 Activities)

Discover Target: ALK

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

Mechanisms of Action