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Ligand

NameCHEMBL253247
Molecular formulaC26H38N4O3
IUPAC name1-[1-[(9-acetyl-9-azabicyclo[3.3.1]non-2-en-3-yl)methyl]piperidin-4-yl]-3-(3-propan-2-yloxyphenyl)urea
Molecular weight454.615
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.8
Synonyms1-(1-((9-acetyl-9-aza-bicyclo[3.3.1]non-2-en-3-yl)methyl)piperidin-4-yl)-3-(3-isopropoxyphenyl)urea
BDBM50227867
Inchi KeyBGASECYWIDYDAE-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H38N4O3/c1-18(2)33-25-9-4-6-22(16-25)28-26(32)27-21-10-12-29(13-11-21)17-20-14-23-7-5-8-24(15-20)30(23)19(3)31/h4,6,9,14,16,18,21,23-24H,5,7-8,10-13,15,17H2,1-3H3,(H2,27,28,32)
PubChem CID44446453
ChEMBLCHEMBL253247
IUPHARN/A
BindingDB50227867
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
22809C-X-C chemokine receptor type 3O88410Cxcr3Mus musculus (Mouse)367
22810C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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