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Ligand

NameCHEMBL253248
Molecular formulaC26H37FN4O3
IUPAC name1-[1-[(9-acetyl-9-azabicyclo[3.3.1]non-2-en-3-yl)methyl]piperidin-4-yl]-3-(3-fluoro-5-propan-2-yloxyphenyl)urea
Molecular weight472.605
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.9
Synonyms1-(1-((9-acetyl-9-aza-bicyclo[3.3.1]non-2-en-3-yl)methyl)piperidin-4-yl)-3-(3-fluoro-5-isopropoxyphenyl)urea
BDBM50227864
Inchi KeyCDGXEEULJKFSAV-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H37FN4O3/c1-17(2)34-25-14-20(27)13-22(15-25)29-26(33)28-21-7-9-30(10-8-21)16-19-11-23-5-4-6-24(12-19)31(23)18(3)32/h11,13-15,17,21,23-24H,4-10,12,16H2,1-3H3,(H2,28,29,33)
PubChem CID44446454
ChEMBLCHEMBL253248
IUPHARN/A
BindingDB50227864
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
39270C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368
39271C-X-C chemokine receptor type 3O88410Cxcr3Mus musculus (Mouse)367

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