ML-18

Ligand id: 8505

Name: ML-18

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 13
Topological polar surface area 138.39
Molecular weight 569.26
XLogP 7.38
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-3-(1H-indol-3-yl)-N-{[1-(4-methoxyphenyl)cyclohexyl]methyl}-2-{[(4-nitrophenyl)carbamoyl]amino}propanamide
Database Links
PubChem CID 91827363
Search Google for chemical match using the InChIKey JOKVJNCYOSFDGC-LJAQVGFWSA-N
Search Google for chemicals with the same backbone JOKVJNCYOSFDGC
Search UniChem for chemical match using the InChIKey JOKVJNCYOSFDGC-LJAQVGFWSA-N
Search UniChem for chemicals with the same backbone JOKVJNCYOSFDGC
Comments
ML-18 is reported as a non-peptide antagonist of the bombesin BB3 receptor [1].