example 2 [WO2013054185]

Ligand id: 9144

Name: example 2 [WO2013054185]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 86.16
Molecular weight 434.16
XLogP 5.06
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6-[3-(1,3-benzothiazol-2-yl)propanoyl]-4-(4-fluorobenzyl)-5,6,7,8-tetrahydropyrido-[4,3-d] pyrimidine
Synonyms
compound 26 [PMID: 26745766]
Database Links
PubChem CID 121231400
Search Google for chemical match using the InChIKey BSWOIMAAUKKRAB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BSWOIMAAUKKRAB
Search UniChem for chemical match using the InChIKey BSWOIMAAUKKRAB-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BSWOIMAAUKKRAB
Comments
Example 2 is an autotaxin inhibitor developed by Pfizer, and claimed in patent WO2013054185 [1].