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Ligand

NameCHEMBL209531
Molecular formulaC22H23F6NO
IUPAC name1-[(1R,2R,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentyl]-N-methylmethanamine
Molecular weight431.422
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.5
Synonyms(+-)-trans-(3-(3,5-bis(trifluoromethyl)benzyloxy)-2-phenylcyclopentyl)-N-methylmethanamine
BDBM50190833
Inchi KeyALIXCTQWFWWYNZ-VDGAXYAQSA-N
Inchi IDInChI=1S/C22H23F6NO/c1-29-12-16-7-8-19(20(16)15-5-3-2-4-6-15)30-13-14-9-17(21(23,24)25)11-18(10-14)22(26,27)28/h2-6,9-11,16,19-20,29H,7-8,12-13H2,1H3/t16-,19-,20-/m0/s1
PubChem CID44415443
ChEMBLCHEMBL209531
IUPHARN/A
BindingDB50190833
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
8304Substance-P receptorP25103TACR1Homo sapiens (Human)407

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