Ki16425

Ligand id: 2907

Name: Ki16425

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 126.96
Molecular weight 474.1
XLogP 6.08
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]methylsulfanyl]propanoic acid
Comments
Antagonist of the lysophosphatidic acid receptors LPA1 and LPA3.
Database Links
CAS Registry No. 355025-24-0 (source: Scifinder)
GtoPdb PubChem SID 135650457
PubChem CID 10367662
Search Google for chemical match using the InChIKey LLIFMNUXGDHTRO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LLIFMNUXGDHTRO
Search UniChem for chemical match using the InChIKey LLIFMNUXGDHTRO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone LLIFMNUXGDHTRO