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Ligand

NameCHEMBL1209572
Molecular formulaC24H33N3O
IUPAC name(11-cyclohexyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)-(4-ethylpiperazin-1-yl)methanone
Molecular weight379.548
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP4.4
SynonymsSCHEMBL13225970
BDBM50416462
Inchi KeyAHQOXZVRRWNEIC-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H33N3O/c1-2-25-13-15-26(16-14-25)24(28)21-17-27-22(18-7-4-3-5-8-18)12-11-19-9-6-10-20(21)23(19)27/h6,9-10,17-18,22H,2-5,7-8,11-16H2,1H3
PubChem CID49862563
ChEMBLCHEMBL1209572
IUPHARN/A
BindingDB50416462
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
5805Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472

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