FR139317

Ligand id: 998

Name: FR139317

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 4
Rotatable bonds 16
Topological polar surface area 145.66
Molecular weight 604.34
XLogP 4.76
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2R)-2-[[(2R)-2-[[(2S)-2-(azepane-1-carbonylamino)-4-methylpentanoyl]amino]-3-(1-methylindol-3-yl)propanoyl]amino]-3-pyridin-2-ylpropanoic acid
Synonyms
FR 139317 | FR-139317
Database Links
BindingDB Ligand 50286804
CAS Registry No. 142375-60-8 (source: Scifinder)
ChEMBL Ligand CHEMBL352396
GtoPdb PubChem SID 135650284
PubChem CID 107810
Search Google for chemical match using the InChIKey LIOKMIQQPDDTNO-UPRLRBBYSA-N
Search Google for chemicals with the same backbone LIOKMIQQPDDTNO
Search UniChem for chemical match using the InChIKey LIOKMIQQPDDTNO-UPRLRBBYSA-N
Search UniChem for chemicals with the same backbone LIOKMIQQPDDTNO