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Ligand

NameCHEMBL258309
Molecular formulaC27H34FN3O4
IUPAC name1-(3,5-diacetylphenyl)-3-[(2S,4S)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]-4-hydroxybutan-2-yl]urea
Molecular weight483.584
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.4
SynonymsBDBM50372828
Inchi KeyBIPWHXLJDZRBGR-CWVVSJDFSA-N
Inchi IDInChI=1S/C27H34FN3O4/c1-17(29-27(35)30-25-14-22(18(2)32)13-23(15-25)19(3)33)11-26(34)31-10-4-5-21(16-31)12-20-6-8-24(28)9-7-20/h6-9,13-15,17,21,26,34H,4-5,10-12,16H2,1-3H3,(H2,29,30,35)/t17-,21-,26-/m0/s1
PubChem CID44455767
ChEMBLCHEMBL258309
IUPHARN/A
BindingDB50372828
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
24648C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355

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