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Ligand

NameCHEMBL1765500
Molecular formulaC28H28F6N4O
IUPAC nameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2-dimethyl-6-(4-methylpiperazin-1-yl)-4-phenylpyridine-3-carboxamide
Molecular weight550.549
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP5.9
SynonymsBDBM50342013
N-[3,5-Bis(trifluoromethyl)benzyl]-N,2-dimethyl-6-(4-methylpiperazin-1-yl)-4-phenylnicotinamide
Inchi KeyAFZUBBFQMWDRAV-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H28F6N4O/c1-18-25(23(20-7-5-4-6-8-20)16-24(35-18)38-11-9-36(2)10-12-38)26(39)37(3)17-19-13-21(27(29,30)31)15-22(14-19)28(32,33)34/h4-8,13-16H,9-12,17H2,1-3H3
PubChem CID53249015
ChEMBLCHEMBL1765500
IUPHARN/A
BindingDB50342013
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4672Substance-P receptorP25103TACR1Homo sapiens (Human)407

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