ravoxertinib

Ligand id: 9229

Name: ravoxertinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 96.17
Molecular weight 440.12
XLogP 2.45
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one
International Nonproprietary Names
INN number INN
10386 ravoxertinib
Synonyms
example 39 [WO2013130976] | GDC-0994
Database Links
BindingDB Ligand 120095
CAS Registry No. 1453848-26-4 (source: PubChem)
ChEMBL Ligand CHEMBL3544964
PubChem CID 71727581
RCSB PDB Ligand 6QB
Search Google for chemical match using the InChIKey RZUOCXOYPYGSKL-GOSISDBHSA-N
Search Google for chemicals with the same backbone RZUOCXOYPYGSKL
Search PubMed clinical trials ravoxertinib
Search PubMed titles ravoxertinib
Search PubMed titles/abstracts ravoxertinib
Search UniChem for chemical match using the InChIKey RZUOCXOYPYGSKL-GOSISDBHSA-N
Search UniChem for chemicals with the same backbone RZUOCXOYPYGSKL
SynPHARM 83697 (in complex with mitogen-activated protein kinase 1)
Comments
Ravoxertinib (GDC-0994) is an orally available, small molecule selective inhibitor of extracellular signal-regulated kinase 1/2 (ERK1/2) in early clinical development [1]. It is compound 22 in [1]. ERK1 is formally known as mitogen-activated protein kinase 3 (MAPK3) and ERK2 as mitogen-activated protein kinase 1 (MAPK1). GDC-0994 is example 39 claimed in patent WO2013130976 [2].