compound 17 [PMID: 23570514]

Ligand id: 8778

Name: compound 17 [PMID: 23570514]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 183.99
Molecular weight 515.17
XLogP 2.71
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
tert-butyl 5-[2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethylcarbamoyl]thiophene-2-carboxylate
Database Links
ChEMBL Ligand CHEMBL2332041
PubChem CID 71654771
Search Google for chemical match using the InChIKey XZEVSGANERUOOE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XZEVSGANERUOOE
Search UniChem for chemical match using the InChIKey XZEVSGANERUOOE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XZEVSGANERUOOE
Comments
Compound 17 is one of a number of pan SIRT1/2/3 inhibitors identified in [1].