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Ligand

NameCHEMBL598105
Molecular formulaC26H23ClN2O
IUPAC name3-[(6aS,13bS)-11-chloro-12-hydroxy-7-methyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepin-4-yl]benzonitrile
Molecular weight414.933
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.8
Synonyms3-((6aS,13bS)-11-chloro-12-hydroxy-7-methyl-6,6a,7,8,9,13b-hexahydro-5H-benzo[d]naphtho[2,1-b]azepin-4-yl)benzonitrile
BDBM50306444
Inchi KeyALORGORVZSRMKI-AZGAKELHSA-N
Inchi IDInChI=1S/C26H23ClN2O/c1-29-11-10-18-13-23(27)25(30)14-22(18)26-21-7-3-6-19(20(21)8-9-24(26)29)17-5-2-4-16(12-17)15-28/h2-7,12-14,24,26,30H,8-11H2,1H3/t24-,26+/m0/s1
PubChem CID46231994
ChEMBLCHEMBL598105
IUPHARN/A
BindingDB50306444
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8458D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
8459D(1B) dopamine receptorP21918DRD5Homo sapiens (Human)477
8456D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
8457D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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