MK-8776

Ligand id: 7943

Name: MK-8776

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 86.06
Molecular weight 375.08
XLogP 0.4
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[5,1-b]pyrimidin-7-amine
Synonyms
MK 8776 | SCH 900776
Database Links
CAS Registry No. 891495-88-8
ChEMBL Ligand CHEMBL1643208
PubChem CID 16224745
Search Google for chemical match using the InChIKey GMIZZEXBPRLVIV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GMIZZEXBPRLVIV
Search UniChem for chemical match using the InChIKey GMIZZEXBPRLVIV-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone GMIZZEXBPRLVIV
Comments
The discovery and synthesis of MK-8776 (a.k.a. SCH 900776) is described in [2], where it is compound 9b. In the article by Guzi et al (2011) [1], the compound is shown with an (R) stereo center (see PubChem CID 46239015), whereas it is shown with no stereochemistry by Labroli et al (2011). MK-8776 is primarily an inhibitor of checkpoint kinase 1 (CHK1), with minimal inhibitory activity on cyclin dependent kinase 2 (CDK2).