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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

NameCHEMBL3321789
Molecular formulaC22H25ClFNO2
IUPAC name3-(4-chlorophenyl)-8-[3-(4-fluorophenoxy)propyl]-8-azabicyclo[3.2.1]octan-3-ol
Molecular weight389.895
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.8
SynonymsBDBM50055520
Inchi KeyAWIYLVWAILOVMX-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H25ClFNO2/c23-17-4-2-16(3-5-17)22(26)14-19-8-9-20(15-22)25(19)12-1-13-27-21-10-6-18(24)7-11-21/h2-7,10-11,19-20,26H,1,8-9,12-15H2
PubChem CID13091356
ChEMBLCHEMBL3321789
IUPHARN/A
BindingDB50055520
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: 10
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4422805-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
4422815-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
4422855-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
4422825-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
442278D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
442284D(1B) dopamine receptorP21918DRD5Homo sapiens (Human)477
442283D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
442279D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
442287D(4) dopamine receptorP30729Drd4Rattus norvegicus (Rat)387
442286Histamine H1 receptorP35367HRH1Homo sapiens (Human)487

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