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Ligand

NameCHEMBL253210
Molecular formulaC26H34FN7O
IUPAC name1-[(1R,2S)-2-[[3-(4-fluorophenyl)propyl-methylamino]methyl]cyclohexyl]-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
Molecular weight479.604
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.4
Synonyms1-((1R,2S)-2-(((3-(4-fluorophenyl)propyl)(methyl)amino)methyl)cyclohexyl)-3-(3-(1-methyl-1H-tetrazol-5-yl)phenyl)urea
1-[(1R,2S)-2-({[3-(4-fluorophenyl)-propyl]-methyl-amino}-methyl)-cyclohexyl]-3-[3-(1-methyl-1H-tetrazol-5-yl)-phenyl]-urea
ADGPNLCKGSWYFU-XUZZJYLKSA-N
BDBM50231368
SCHEMBL5373050
Inchi KeyADGPNLCKGSWYFU-XUZZJYLKSA-N
Inchi IDInChI=1S/C26H34FN7O/c1-33(16-6-7-19-12-14-22(27)15-13-19)18-21-8-3-4-11-24(21)29-26(35)28-23-10-5-9-20(17-23)25-30-31-32-34(25)2/h5,9-10,12-15,17,21,24H,3-4,6-8,11,16,18H2,1-2H3,(H2,28,29,35)/t21-,24+/m0/s1
PubChem CID11236950
ChEMBLCHEMBL253210
IUPHARN/A
BindingDB50231368
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
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GLASS IDNameUniProtGeneSpeciesLength
2298C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355

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