GDC-0879

Ligand id: 5681

Name: GDC-0879

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 83.53
Molecular weight 334.14
XLogP 2.24
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethan-1-ol
Synonyms
AR 00341677 | AR00341677 | GDC 0879 | GDC0879
Database Links
CAS Registry No. 905281-76-7 (source: PubChem)
ChEMBL Ligand CHEMBL525191
PubChem CID 11717001
RCSB PDB Ligand 29L
Search Google for chemical match using the InChIKey DEZZLWQELQORIU-RELWKKBWSA-N
Search Google for chemicals with the same backbone DEZZLWQELQORIU
Search UniChem for chemical match using the InChIKey DEZZLWQELQORIU-RELWKKBWSA-N
Search UniChem for chemicals with the same backbone DEZZLWQELQORIU
SynPHARM 81065 (in complex with B-Raf proto-oncogene, serine/threonine kinase)
Comments
GDC-0879 is an inhibitor of B-Raf proto-oncogene (BRAF), serine/threonine kinase [2]. PubChem includes four alternative tautomeric forms of this compound. Most sources are linked to CID 11717001 but some assay resulls are linked to CID 57519545. This has a Probe Portal entry SGC GDC-0879