Ligand id: 872

Name: CI-1015

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 9
Topological polar surface area 103.45
Molecular weight 493.29
XLogP 5.45
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Trivedi BK, Padia JK, Holmes A, Rose S, Wright DS, Hinton JP, Pritchard MC, Eden JM, Kneen C, Webdale L, Suman-Chauhan N, Boden P, Singh L, Field MJ, Hill D. (1998)
Second generation "peptoid" CCK-B receptor antagonists: identification and development of N-(adamantyloxycarbonyl)-alpha-methyl-(R) -tryptophan derivative (CI-1015) with an improved pharmacokinetic profile.
J Med Chem, 41: 38-45. [PMID:9438020]