BS-194

Ligand id: 8176

Name: BS-194

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 5
Rotatable bonds 9
Topological polar surface area 114.94
Molecular weight 385.21
XLogP 2.89
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S,3S)-3-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butane-1,2,4-triol
Synonyms
BS 194 | BS194 | compound 4k [PMID 21080703] [1]
Database Links
CAS Registry No. 1092443-55-4 (source: Scifinder)
ChEMBL Ligand CHEMBL1234833
GtoPdb PubChem SID 249565856
PubChem CID 25125014
RCSB PDB Ligand NS9
Search Google for chemical match using the InChIKey KRIWIRSMQRQYJG-DLBZAZTESA-N
Search Google for chemicals with the same backbone KRIWIRSMQRQYJG
Search UniChem for chemical match using the InChIKey KRIWIRSMQRQYJG-DLBZAZTESA-N
Search UniChem for chemicals with the same backbone KRIWIRSMQRQYJG
Comments
BS-194 is reported as a potent, orally available inhibitor of cyclin-dependent protein kinases (CDKs) 1, 2, 7 and 9 [1].