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Ligand

NameCHEMBL217928
Molecular formulaC28H33F4N3O3
IUPAC name1-(3,5-diacetylphenyl)-3-[3-[(2S,4R)-4-[(4-fluorophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-2-yl]propyl]urea
Molecular weight535.584
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP5.0
SynonymsBDBM50193782
SCHEMBL18840947
1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl)propyl)-3-(3,5-diacetylphenyl)urea
Inchi KeyAKEDNWBVXPATHJ-LVXARBLLSA-N
Inchi IDInChI=1S/C28H33F4N3O3/c1-18(36)22-14-23(19(2)37)16-25(15-22)34-27(38)33-10-3-4-26-13-21(9-11-35(26)17-28(30,31)32)12-20-5-7-24(29)8-6-20/h5-8,14-16,21,26H,3-4,9-13,17H2,1-2H3,(H2,33,34,38)/t21-,26-/m0/s1
PubChem CID44419305
ChEMBLCHEMBL217928
IUPHARN/A
BindingDB50193782
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7466C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355

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