L-741,626   Click here for help

GtoPdb Ligand ID: 177

Synonyms: L 741626 | L741626
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 39.26
Molecular weight 340.13
XLogP 3.8
No. Lipinski's rules broken 0
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Canonical SMILES Clc1ccc(cc1)C1(O)CCN(CC1)Cc1c[nH]c2c1cccc2
Isomeric SMILES Clc1ccc(cc1)C1(O)CCN(CC1)Cc1c[nH]c2c1cccc2
InChI InChI=1S/C20H21ClN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2
1. Grundt P, Husband SL, Luedtke RR, Taylor M, Newman AH. (2007)
Analogues of the dopamine D2 receptor antagonist L741,626: Binding, function, and SAR.
Bioorg Med Chem Lett, 17 (3): 745-9. [PMID:17095222]
2. Kulagowski JJ, Broughton HB, Curtis NR, Mawer IM, Ridgill MP, Baker R, Emms F, Freedman SB, Marwood R, Patel S et al.. (1996)
3-((4-(4-Chlorophenyl)piperazin-1-yl)-methyl)-1H-pyrrolo-2,3-b-pyridine: an antagonist with high affinity and selectivity for the human dopamine D4 receptor.
J Med Chem, 39 (10): 1941-2. [PMID:8642550]
3. Millan MJ, Gobert A, Newman-Tancredi A, Lejeune F, Cussac D, Rivet JM, Audinot V, Dubuffet T, Lavielle G. (2000)
S33084, a novel, potent, selective, and competitive antagonist at dopamine D(3)-receptors: I. Receptorial, electrophysiological and neurochemical profile compared with GR218,231 and L741,626.
J Pharmacol Exp Ther, 293 (3): 1048-62. [PMID:10869410]