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Ligand

NameCHEMBL310019
Molecular formulaC26H29Cl2F6N3O2
IUPAC name(Z)-1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(3,4-dichlorophenyl)-N-methoxy-5-(4-methylpiperazin-1-yl)pentan-2-imine
Molecular weight600.427
Hydrogen bond acceptor11
Hydrogen bond donor0
XlogP6.8
SynonymsBDBM50093108
1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichloro-phenyl)-5-(4-methyl-piperazin-1-yl)-pentan-2-one O-methyl-oxime
Inchi KeyBGMAFASBOCNMKL-JWHWKPFMSA-N
Inchi IDInChI=1S/C26H29Cl2F6N3O2/c1-36-7-9-37(10-8-36)6-5-21(18-3-4-22(27)23(28)13-18)24(35-38-2)16-39-15-17-11-19(25(29,30)31)14-20(12-17)26(32,33)34/h3-4,11-14,21H,5-10,15-16H2,1-2H3/b35-24+
PubChem CID44314597
ChEMBLCHEMBL310019
IUPHARN/A
BindingDB50093108
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
23119Substance-K receptorP21452TACR2Homo sapiens (Human)398
23120Substance-P receptorP25103TACR1Homo sapiens (Human)407

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