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Ligand

NameCHEMBL382988
Molecular formulaC23H23F6NO
IUPAC name2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-phenyl-8-azabicyclo[3.2.1]octane
Molecular weight443.433
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.8
SynonymsBDBM50180552
2-((S)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-1-phenyl-8-aza-bicyclo[3.2.1]octane
Inchi KeyAMMYHLCZPFCXBC-MNUNUEIXSA-N
Inchi IDInChI=1S/C23H23F6NO/c1-14(15-11-17(22(24,25)26)13-18(12-15)23(27,28)29)31-20-8-7-19-9-10-21(20,30-19)16-5-3-2-4-6-16/h2-6,11-14,19-20,30H,7-10H2,1H3/t14-,19?,20?,21?/m0/s1
PubChem CID44410321
ChEMBLCHEMBL382988
IUPHARN/A
BindingDB50180552
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
9059Substance-P receptorP25103TACR1Homo sapiens (Human)407

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