Ro-0505124

Ligand id: 8203

Name: Ro-0505124

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 121.19
Molecular weight 451.17
XLogP 2.57
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[4-amino-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]-(2,3-dihydro-1,4-benzodioxin-7-yl)methanone
Synonyms
RO0505124 [1]
Database Links
BindingDB Ligand 50365216
ChEMBL Ligand CHEMBL1956070
PubChem CID 9911652
Search Google for chemical match using the InChIKey YGEYFDLYGXSZCP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YGEYFDLYGXSZCP
Search UniChem for chemical match using the InChIKey YGEYFDLYGXSZCP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YGEYFDLYGXSZCP
Comments
Ro-0505124 is a potent and selective ATP-competitive inhibitor of cyclin-dependent kinase 4 (CDK4) [1-2]. Ro-0505124 is >100 fold selective for CDK4 compared to CDKs 1 and -2 [1].