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Ligand

NameCHEMBL348599
Molecular formulaC31H31Cl2F3N4O2
IUPAC nameN-[2-(3,4-dichlorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butyl]-N-methyl-3-[3-(trifluoromethyl)diazirin-3-yl]benzamide
Molecular weight619.51
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP6.9
SynonymsN/A
Inchi KeyBEEQXPRIGOACQA-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H31Cl2F3N4O2/c1-39(28(41)22-6-5-9-25(18-22)30(37-38-30)31(34,35)36)20-23(21-10-11-26(32)27(33)19-21)12-15-40-16-13-29(42,14-17-40)24-7-3-2-4-8-24/h2-11,18-19,23,42H,12-17,20H2,1H3
PubChem CID10394084
ChEMBLCHEMBL348599
IUPHARN/A
BindingDB50288956
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis 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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
21500Substance-K receptorP21452TACR2Homo sapiens (Human)398

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