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Ligand

NameCHEMBL395314
Molecular formulaC23H33N3O2
IUPAC name1-(3-acetylphenyl)-3-[1-[[(1E)-cycloocten-1-yl]methyl]piperidin-4-yl]urea
Molecular weight383.536
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.9
SynonymsBDBM50198402
1-(3-acetylphenyl)-3-(1-(cyclooctenylmethyl)piperidin-4-yl)urea
Inchi KeyAKAXDXMSNRGJRD-UFWORHAWSA-N
Inchi IDInChI=1S/C23H33N3O2/c1-18(27)20-10-7-11-22(16-20)25-23(28)24-21-12-14-26(15-13-21)17-19-8-5-3-2-4-6-9-19/h7-8,10-11,16,21H,2-6,9,12-15,17H2,1H3,(H2,24,25,28)/b19-8+
PubChem CID44426913
ChEMBLCHEMBL395314
IUPHARN/A
BindingDB50198402
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7393C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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