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Ligand

NameCHEMBL75367
Molecular formulaC32H38Cl2F6N4O4
IUPAC name2-[4-[(4Z)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(3,4-dichlorophenyl)-4-methoxyiminopentyl]piperazin-1-yl]-1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
Molecular weight727.57
Hydrogen bond acceptor13
Hydrogen bond donor1
XlogP6.0
SynonymsBDBM50093104
1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichloro-phenyl)-5-{4-[2-((R)-3-hydroxymethyl-pyrrolidin-1-yl)-2-oxo-ethyl]-piperazin-1-yl}-pentan-2-one O-methyl-oxime
Inchi KeyAIAQAZVHKNKTDU-MRNBDVKYSA-N
Inchi IDInChI=1S/C32H38Cl2F6N4O4/c1-47-41-29(20-48-19-22-12-24(31(35,36)37)15-25(13-22)32(38,39)40)26(23-2-3-27(33)28(34)14-23)5-6-42-8-10-43(11-9-42)17-30(46)44-7-4-21(16-44)18-45/h2-3,12-15,21,26,45H,4-11,16-20H2,1H3/b41-29+/t21-,26?/m1/s1
PubChem CID10395141
ChEMBLCHEMBL75367
IUPHARN/A
BindingDB50093104
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
6046Substance-K receptorP21452TACR2Homo sapiens (Human)398
6045Substance-P receptorP25103TACR1Homo sapiens (Human)407

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