Ro3280

Ligand id: 9403

Name: Ro3280

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 102.93
Molecular weight 543.28
XLogP 2.33
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
Synonyms
compound 7 [PMID: 22172702]
Comments
Ro3280 is a potent and selective inhibitor of Polo-like kinase 1 (PLK1) with antitumour activity in vivo (xenografts) [1].
Database Links
BindingDB Ligand 50435735
CAS Registry No. 1062243-51-9 (source: PubChem)
ChEMBL Ligand CHEMBL2392553
GtoPdb PubChem SID 328083505
PubChem CID 25015677
RCSB PDB Ligand 79C
Search Google for chemical match using the InChIKey DJNZZLZKAXGMMC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DJNZZLZKAXGMMC
Search UniChem for chemical match using the InChIKey DJNZZLZKAXGMMC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DJNZZLZKAXGMMC
SynPHARM 84040 (in complex with polo like kinase 1)
84039 (in complex with polo like kinase 1)

Product suppliers

Tocris
Ro 3280
Cat. No. 5968