cobimetinib

Ligand id: 7626

Name: cobimetinib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 64.6
Molecular weight 531.06
XLogP 4.65
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2015))
IUPAC Name
[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl]-[3-hydroxy-3-[(2S)-piperidin-2-yl]azetidin-1-yl]methanone
International Nonproprietary Names
INN number INN
9645 cobimetinib
Synonyms
cobimetinib butyrate | cobimetinib fumarate | Cotellic® | GDC-0973 | XL-518 | XL518
Database Links
CAS Registry No. 934660-93-2
ChEMBL Ligand CHEMBL2146883
PubChem CID 16222096
RCSB PDB Ligand EUI
Search Google for chemical match using the InChIKey BSMCAPRUBJMWDF-KRWDZBQOSA-N
Search Google for chemicals with the same backbone BSMCAPRUBJMWDF
Search PubMed clinical trials cobimetinib
Search PubMed titles cobimetinib
Search PubMed titles/abstracts cobimetinib
Search UniChem for chemical match using the InChIKey BSMCAPRUBJMWDF-KRWDZBQOSA-N
Search UniChem for chemicals with the same backbone BSMCAPRUBJMWDF
SynPHARM 83118 (in complex with mitogen-activated protein kinase kinase 1)
Wikipedia Cobimetinib
Comments
Cobimetinib is an allosteric inhibitor of MEK serine/threonine protein kinases, with selectivity for MEK1 and MEK2 [3].