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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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Ligand

NameCHEMBL13632
Molecular formulaC17H17BrClNO
IUPAC name5-(3-bromophenyl)-8-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
Molecular weight366.683
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.7
SynonymsBDBM50088753
3-Methyl-5-(3-bromophenyl)-8-chloro-2,3,4,5-tetrahydro-1H-3-benzazepine-7-ol
5-(3-Bromo-phenyl)-8-chloro-3-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ol
Inchi KeyAJFLQDIECOEENG-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H17BrClNO/c1-20-6-5-12-8-16(19)17(21)9-14(12)15(10-20)11-3-2-4-13(18)7-11/h2-4,7-9,15,21H,5-6,10H2,1H3
PubChem CID14896355
ChEMBLCHEMBL13632
IUPHARN/A
BindingDB50088753
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
68675-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
68705-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
6871D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
6869D(2) dopamine receptorP61168Drd2Mus musculus (Mouse)444

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