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Ligand

NameCHEMBL95112
Molecular formulaC23H27FN2O2S
IUPAC name5-[2-[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]ethyl]-5,6-dihydrocyclopenta[b]thiophen-4-one
Molecular weight414.539
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.4
SynonymsBDBM50409516
QF-0506B
Inchi KeyAFYKQUVNHCGGNK-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H27FN2O2S/c24-19-5-3-17(4-6-19)21(27)2-1-9-25-11-13-26(14-12-25)10-7-18-16-22-20(23(18)28)8-15-29-22/h3-6,8,15,18H,1-2,7,9-14,16H2
PubChem CID10093238
ChEMBLCHEMBL95112
IUPHARN/A
BindingDB50409516
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
46165-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
46175-hydroxytryptamine receptor 2BP30994Htr2bRattus norvegicus (Rat)479
46185-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
4619D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
4620D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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