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Ligand

NameCHEMBL1951633
Molecular formulaC24H24F7N3O2
IUPAC name(3S,4S)-4-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-4-N-methylpiperidine-1,4-dicarboxamide
Molecular weight519.464
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP4.2
SynonymsBDBM50364195
Inchi KeyALFJIXABJRNKLR-VQTJNVASSA-N
Inchi IDInChI=1S/C24H24F7N3O2/c1-13-7-17(25)3-4-18(13)20-12-34(22(32)36)6-5-19(20)21(35)33(2)11-14-8-15(23(26,27)28)10-16(9-14)24(29,30)31/h3-4,7-10,19-20H,5-6,11-12H2,1-2H3,(H2,32,36)/t19-,20+/m0/s1
PubChem CID57403992
ChEMBLCHEMBL1951633
IUPHARN/A
BindingDB50364195
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8221Substance-P receptorP25103TACR1Homo sapiens (Human)407

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