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Ligand

NameCHEMBL145302
Molecular formulaC34H43Cl2F6N3O3
IUPAC name2-[1-[[1-[(4Z)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(3,4-dichlorophenyl)-4-methoxyiminopentyl]piperidin-4-yl]methyl]piperidin-2-yl]ethanol
Molecular weight726.626
Hydrogen bond acceptor12
Hydrogen bond donor1
XlogP8.3
SynonymsBDBM50096931
L020325
1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichloro-phenyl)-5-{4-[2-(2-hydroxy-ethyl)-piperidin-1-ylmethyl]-piperidin-1-yl}-pentan-2-one O-methyl-oxime
Inchi KeyAUQCRJDJIAOZCU-WUGRJRDASA-N
Inchi IDInChI=1S/C34H43Cl2F6N3O3/c1-47-43-32(22-48-21-24-16-26(33(37,38)39)19-27(17-24)34(40,41)42)29(25-5-6-30(35)31(36)18-25)9-14-44-12-7-23(8-13-44)20-45-11-3-2-4-28(45)10-15-46/h5-6,16-19,23,28-29,46H,2-4,7-15,20-22H2,1H3/b43-32+
PubChem CID44215306
ChEMBLCHEMBL145302
IUPHARN/A
BindingDB50096931
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
14881Substance-K receptorP21452TACR2Homo sapiens (Human)398
14882Substance-P receptorP25103TACR1Homo sapiens (Human)407

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