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Ligand

NameCHEMBL144011
Molecular formulaC35H41Cl2F6N3O3
IUPAC name1-[[1-[(4Z)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(3,4-dichlorophenyl)-4-methoxyiminopentyl]piperidin-4-yl]methyl]-3-prop-2-enylpiperidin-2-one
Molecular weight736.621
Hydrogen bond acceptor11
Hydrogen bond donor0
XlogP8.8
SynonymsBDBM50096953
3-Allyl-1-(1-{5-(3,5-bis-trifluoromethyl-benzyloxy)-3-(3,4-dichloro-phenyl)-4-[(Z)-methoxyimino]-pentyl}-piperidin-4-ylmethyl)-piperidin-2-one
Inchi KeyBCZOCLLNEUBFJV-CMXZEOLJSA-N
Inchi IDInChI=1S/C35H41Cl2F6N3O3/c1-3-5-25-6-4-12-46(33(25)47)20-23-9-13-45(14-10-23)15-11-29(26-7-8-30(36)31(37)18-26)32(44-48-2)22-49-21-24-16-27(34(38,39)40)19-28(17-24)35(41,42)43/h3,7-8,16-19,23,25,29H,1,4-6,9-15,20-22H2,2H3/b44-32+
PubChem CID44363984
ChEMBLCHEMBL144011
IUPHARN/A
BindingDB50096953
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
20724Substance-K receptorP21452TACR2Homo sapiens (Human)398
20723Substance-P receptorP25103TACR1Homo sapiens (Human)407

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