PF-04620110

Ligand id: 7829

Name: PF-04620110

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 118.64
Molecular weight 396.18
XLogP 3.47
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[(1r,4r)-4-(4-{4-amino-5-oxo-5H,6H,7H,8H-pyrimido[5,4-f][1,4]oxazepin-6-yl}phenyl)cyclohexyl]acetic acid
Database Links
CAS Registry No. 1109276-89-2
ChEMBL Ligand CHEMBL1835919
PubChem CID 46926360
Search Google for chemical match using the InChIKey GEVVQZHMFVFGLN-HDJSIYSDSA-N
Search Google for chemicals with the same backbone GEVVQZHMFVFGLN
Search UniChem for chemical match using the InChIKey GEVVQZHMFVFGLN-HDJSIYSDSA-N
Search UniChem for chemicals with the same backbone GEVVQZHMFVFGLN
Comments
PF-04620110 is a potent and selective inhibitor of diacylglycerol O-acyltransferase 1 (DGAT1) [1] and was developed as a potential treatment for obesity.
PubChem CID 46926360 shows the flat molecule without stereochemistry.