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Ligand

NameCHEMBL342341
Molecular formulaC32H38Cl2F6N4O3
IUPAC name1-[1-[(4Z)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(3,4-dichlorophenyl)-4-methoxyiminopentyl]piperidin-4-yl]piperidine-3-carboxamide
Molecular weight711.571
Hydrogen bond acceptor12
Hydrogen bond donor1
XlogP6.9
SynonymsL020322
1''-{5-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichloro-phenyl)-4-[(Z)-methoxyimino]-pentyl}-[1,4'']bipiperidinyl-3-carboxylic acid amide
BDBM50096951
Inchi KeyASXZZPJDUJGTRI-JSKGAOECSA-N
Inchi IDInChI=1S/C32H38Cl2F6N4O3/c1-46-42-29(19-47-18-20-13-23(31(35,36)37)16-24(14-20)32(38,39)40)26(21-4-5-27(33)28(34)15-21)8-12-43-10-6-25(7-11-43)44-9-2-3-22(17-44)30(41)45/h4-5,13-16,22,25-26H,2-3,6-12,17-19H2,1H3,(H2,41,45)/b42-29+
PubChem CID44215303
ChEMBLCHEMBL342341
IUPHARN/A
BindingDB50096951
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This 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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
13713Substance-K receptorP21452TACR2Homo sapiens (Human)398
13712Substance-P receptorP25103TACR1Homo sapiens (Human)407

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