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Ligand

NameCHEMBL3946330
Molecular formulaC26H33F3N4O2
IUPAC nameN-(2-methylbutan-2-yl)-1-[[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]phenyl]methyl]azepane-4-carboxamide
Molecular weight490.571
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.4
SynonymsUS9428456, 2.088
BDBM243710
Inchi KeyBCGFPZAQHSIDQW-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H33F3N4O2/c1-4-25(2,3)32-23(34)19-9-7-14-33(15-13-19)17-18-8-5-10-20(16-18)30-24(35)21-11-6-12-22(31-21)26(27,28)29/h5-6,8,10-12,16,19H,4,7,9,13-15,17H2,1-3H3,(H,30,35)(H,32,34)
PubChem CID129626092
ChEMBLCHEMBL3946330
IUPHARN/A
BindingDB243710
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
536480Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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