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Ligand

NameCHEMBL285712
Molecular formulaC24H25FN2O
IUPAC name5-(9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-15-yl)-1-(4-fluorophenyl)pentan-1-one
Molecular weight376.475
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.7
SynonymsBDBM50036647
SCHEMBL466781
5-[9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-15-yl]-1-(4-fluorophenyl)-1-pentanone
(7R,10S)-5-[9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-15-yl]-1-(4-fluorophenyl)-1-pentanone
(7S,10R)-5-[9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-15-yl]-1-(4-fluorophenyl)-1-pentanone
Inchi KeyAFVUFWHJUYVTQW-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H25FN2O/c25-17-10-8-16(9-11-17)23(28)7-3-4-14-27-18-12-13-22(27)24-19-5-1-2-6-20(19)26-21(24)15-18/h1-2,5-6,8-11,18,22,26H,3-4,7,12-15H2
PubChem CID9842628
ChEMBLCHEMBL285712
IUPHARN/A
BindingDB50036647
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
4543D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
4544D(2) dopamine receptorP61168Drd2Mus musculus (Mouse)444

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