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Ligand

NameCHEMBL100149
Molecular formulaC24H29FN2O3
IUPAC name1-(1,3-benzodioxol-5-yl)-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]cyclohexan-1-ol
Molecular weight412.505
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.4
Synonyms1-(1,3-Benzodioxole-5-yl)-4beta-[4-(4-fluorobenzyl)piperazino]cyclohexane-1alpha-ol
BDBM50122421
1-Benzo[1,3]dioxol-5-yl-4-[4-(4-fluoro-benzyl)-piperazin-1-yl]-cyclohexanol
Inchi KeyAACJHFPFYOSUIH-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H29FN2O3/c25-20-4-1-18(2-5-20)16-26-11-13-27(14-12-26)21-7-9-24(28,10-8-21)19-3-6-22-23(15-19)30-17-29-22/h1-6,15,21,28H,7-14,16-17H2
PubChem CID44329554
ChEMBLCHEMBL100149
IUPHARN/A
BindingDB50122421
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
535-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422

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