SCH772984

Ligand id: 8056

Name: SCH772984

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 123.24
Molecular weight 587.28
XLogP 3.28
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3R)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)pyrrolidine-3-carboxamide
Synonyms
SCH-772984
Comments
SCH772984 is an experimental inhibitor of the mitogen-activated protein kinases ERK1 and ERK2 [2]. The in vitro mechanism of action of SCH772984 is notable, in that it inhibits both the catalytic activity of ERK1/2 and also inhibits phosphorylation of ERK1/2. This is in contrast to other ERK inhibitors that target the ATP-binding site and thus inhibit only the catalytic activity of the kinases. The dual action of compounds like SCH772984 is predicted to block the nuclear localization of pERK and more completely suppress MAPK pathway signaling [2]. This type of inhibitor may provide improved clinical efficacy, particularly in relation to the emergence of acquired resistance that occurs in BRAF and MEK inhibitor-treated cancers. Unfortunately, SCH772984 is not active in vivo (oral or intraperitoneal administration results in poor exposure levels) [1].
Database Links
CAS Registry No. 942183-80-4
GtoPdb PubChem SID 249565736
PubChem CID 24866313
RCSB PDB Ligand 38Z
Search Google for chemical match using the InChIKey HDAJDNHIBCDLQF-RUZDIDTESA-N
Search Google for chemicals with the same backbone HDAJDNHIBCDLQF
Search UniChem for chemical match using the InChIKey HDAJDNHIBCDLQF-RUZDIDTESA-N
Search UniChem for chemicals with the same backbone HDAJDNHIBCDLQF
SynPHARM 81089 (in complex with mitogen-activated protein kinase 1)
81090 (in complex with mitogen-activated protein kinase 1)