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
SMILES / InChI / InChIKey
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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
InChI Key LLBLNMUONVVVPG-UHFFFAOYSA-N
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
D2 receptor Hs Antagonist Antagonist 7.9 – 8.5 pKi - 1-2
pKi 7.9 – 8.5 [1-2]
5-HT2A receptor Hs Antagonist Antagonist 6.5 pKi - 3
pKi 6.5 [3]
5-HT2B receptor Hs Antagonist Antagonist 6.2 pKi - 3
pKi 6.2 [3]