L-740093   Click here for help

GtoPdb Ligand ID: 881

Synonyms: L 740093 | L-740,093 | L740093
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 7
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 77.04
Molecular weight 445.25
XLogP 4.49
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES Cc1cccc(c1)NC(=O)NC1N=C(N2CC3CCC(C2)CC3)c2c(N(C1=O)C)cccc2
Isomeric SMILES Cc1cccc(c1)NC(=O)N[C@@H]1N=C(N2CC3CCC(C2)CC3)c2c(N(C1=O)C)cccc2
InChI InChI=1S/C26H31N5O2/c1-17-6-5-7-20(14-17)27-26(33)29-23-25(32)30(2)22-9-4-3-8-21(22)24(28-23)31-15-18-10-11-19(16-31)13-12-18/h3-9,14,18-19,23H,10-13,15-16H2,1-2H3,(H2,27,29,33)/t18?,19?,23-/m0/s1
1. Nilsson I, Monstein HJ, Lindström E, Håkanson R, Svensson S. (2002)
Pharmacological analysis of CCK(2) receptor ligands using COS-7 and SK-N-MC cells, expressing the human CCK(2) receptor.
Regul Pept, 103 (1): 29-37. [PMID:11738246]
2. Patel S, Smith AJ, Chapman KL, Fletcher AE, Kemp JA, Marshall GR, Hargreaves RJ, Ryecroft W, Iversen LL, Iversen SD et al.. (1994)
Biological properties of the benzodiazepine amidine derivative L-740,093, a cholecystokinin-B/gastrin receptor antagonist with high affinity in vitro and high potency in vivo.
Mol Pharmacol, 46 (5): 943-8. [PMID:7969084]