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Ligand

NameCHEMBL333594
Molecular formulaC21H24ClN3O
IUPAC name1-[(2S)-4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-2-methylpiperazin-1-yl]ethanone
Molecular weight369.893
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.0
SynonymsN/A
Inchi KeyBVJYTMBJKHKHNE-YXWRBFHGSA-N
Inchi IDInChI=1S/C21H24ClN3O/c1-14-13-24(10-11-25(14)15(2)26)21-19-8-7-18(22)12-17(19)6-5-16-4-3-9-23-20(16)21/h3-4,7-9,12,14,21H,5-6,10-11,13H2,1-2H3/t14-,21?/m0/s1
PubChem CID44343875
ChEMBLCHEMBL333594
IUPHARN/A
BindingDBN/A
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
33812Histamine H1 receptorP31390Hrh1Rattus norvegicus (Rat)486

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