T863

Ligand id: 7828

Name: T863

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 110.69
Molecular weight 394.2
XLogP 4.91
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
trans-4-[4-(4-Amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexaneacetic acid
Database Links
CAS Registry No. 701232-20-4
ChEMBL Ligand CHEMBL473967
PubChem CID 9865421
Search Google for chemical match using the InChIKey FUIYMYNYUHVDPT-HDJSIYSDSA-N
Search Google for chemicals with the same backbone FUIYMYNYUHVDPT
Search UniChem for chemical match using the InChIKey FUIYMYNYUHVDPT-HDJSIYSDSA-N
Search UniChem for chemicals with the same backbone FUIYMYNYUHVDPT
Comments
T863 is an investigational inhibitor of diacylglycerol O-acyltransferase 1 (DGAT1) and was tested pre-clinically as a potential treatment for obesity. Development appears not to have progressed to clinical trials.
PubChem CID 9865421 represents the flat molecule without stereochemistry.