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Ligand

NameCHEMBL514411
Molecular formulaC25H33N3O
IUPAC name(4aS,10aS)-1-[2-(4-phenylpiperazin-1-yl)ethyl]-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-6-ol
Molecular weight391.559
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50273467
(+/-)-trans-1-[2-(4-Phenylpiperazin-1-yl)ethyl]-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-6-ol
Inchi KeyBDSPUJFGSUKYBJ-URXFXBBRSA-N
Inchi IDInChI=1S/C25H33N3O/c29-25-10-4-6-20-19-24-21(18-23(20)25)7-5-11-28(24)17-14-26-12-15-27(16-13-26)22-8-2-1-3-9-22/h1-4,6,8-10,21,24,29H,5,7,11-19H2/t21-,24-/m0/s1
PubChem CID25179487
ChEMBLCHEMBL514411
IUPHARN/A
BindingDB50273467
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
21211D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
21212D(3) dopamine receptorP19020Drd3Rattus norvegicus (Rat)446

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