CHEBI:83405 - GDC-0879

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name GDC-0879
ChEBI ID CHEBI:83405
Definition A member of the class of pyrazoles that is 1-(2-hydroxyethyl)pyrazole carrying additional 4-pyridyl and 1-(hydroxyimino)indan-5-yl substituents at positions 3 and 4 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Margaret Duesbury
Supplier Information
Download Molfile XML SDF
Formula C19H18N4O2
Net Charge 0
Average Mass 334.37180
Monoisotopic Mass 334.143
InChI InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,24-25H,2,4,9-10H2/b22-18+
InChIKey DEZZLWQELQORIU-RELWKKBWSA-N
SMILES OCCn1cc(c(n1)-c1ccncc1)-c1ccc2\C(CCc2c1)=N\O
Roles Classification
Biological Role(s): B-Raf inhibitor
A serine/threonine kinase inhibitor that specifically inhibits human mutant serine/threonine kinase (B-Raf)
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing GDC-0879 (CHEBI:83405) has role antineoplastic agent (CHEBI:35610)
GDC-0879 (CHEBI:83405) has role B-Raf inhibitor (CHEBI:75047)
GDC-0879 (CHEBI:83405) is a indanes (CHEBI:46940)
GDC-0879 (CHEBI:83405) is a ketoxime (CHEBI:24983)
GDC-0879 (CHEBI:83405) is a primary alcohol (CHEBI:15734)
GDC-0879 (CHEBI:83405) is a pyrazoles (CHEBI:26410)
GDC-0879 (CHEBI:83405) is a pyridines (CHEBI:26421)
IUPAC Name
2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethanol
Manual Xref Database
29L PDBeChem
View more database links
Registry Number Type Source
18850224 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
18676143 PubMed citation SUBMITTER
19147858 PubMed citation Europe PMC
19276360 PubMed citation Europe PMC
19552528 PubMed citation Europe PMC
22717139 PubMed citation Europe PMC
24129679 PubMed citation Europe PMC
25155755 PubMed citation SUBMITTER
Last Modified
15 July 2016