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Ligand

NameCHEMBL2111767
Molecular formulaC20H22ClN3O
IUPAC name1-[4-[(2R)-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]ethanone
Molecular weight355.866
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP2.6
SynonymsBDBM50403681
Inchi KeyAIESXMXVDNOKQF-HXUWFJFHSA-N
Inchi IDInChI=1S/C20H22ClN3O/c1-14(25)23-9-11-24(12-10-23)20-18-7-6-17(21)13-16(18)5-4-15-3-2-8-22-19(15)20/h2-3,6-8,13,20H,4-5,9-12H2,1H3/t20-/m1/s1
PubChem CID71457970
ChEMBLCHEMBL2111767
IUPHARN/A
BindingDB50403681
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
6145Histamine H1 receptorP31390Hrh1Rattus norvegicus (Rat)486

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