L-365260   Click here for help

GtoPdb Ligand ID: 879

Synonyms: (R)-L 365260 | L 365260 | L365260
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 73.8
Molecular weight 398.17
XLogP 4.22
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2
Isomeric SMILES Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2
InChI InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)
1. Hughes J, Boden P, Costall B, Domeney A, Kelly E, Horwell DC, Hunter JC, Pinnock RD, Woodruff GN. (1990)
Development of a class of selective cholecystokinin type B receptor antagonists having potent anxiolytic activity.
Proc Natl Acad Sci USA, 87 (17): 6728-32. [PMID:1975695]
2. Lee YM, Beinborn M, McBride EW, Lu M, Kolakowski Jr LF, Kopin AS. (1993)
The human brain cholecystokinin-B/gastrin receptor. Cloning and characterization.
J Biol Chem, 268 (11): 8164-9. [PMID:7681836]