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Ligand

NameCHEMBL1682682
Molecular formulaC31H39Cl2FN4O2
IUPAC name(1S,2R)-2-[[4-[2-(azepan-1-yl)acetyl]piperazin-1-yl]methyl]-1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
Molecular weight589.577
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP5.0
SynonymsBDBM50337417
(1S,2R)-2-((4-(2-(azepan-1-yl)acetyl)piperazin-1-yl)methyl)-1-(3,4-dichlorophenyl)-N-(4-fluorobenzyl)-N-methylcyclopropanecarboxamide
Inchi KeyAKTDKZICQYOPAE-VVFBEHOQSA-N
Inchi IDInChI=1S/C31H39Cl2FN4O2/c1-35(20-23-6-9-26(34)10-7-23)30(40)31(24-8-11-27(32)28(33)18-24)19-25(31)21-37-14-16-38(17-15-37)29(39)22-36-12-4-2-3-5-13-36/h6-11,18,25H,2-5,12-17,19-22H2,1H3/t25-,31+/m0/s1
PubChem CID53318390
ChEMBLCHEMBL1682682
IUPHARN/A
BindingDB50337417
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7874Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465

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