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Ligand

NameCHEMBL78487
Molecular formulaC22H37N3O
IUPAC name5-amino-N-[(1S)-1-(4-butylpyridin-2-yl)-2-cyclohexylethyl]pentanamide
Molecular weight359.558
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.7
SynonymsBDBM50093775
N-[(S)-1-(4-Butyl-2-pyridinyl)-2-cyclohexylethyl]-5-aminopentanamide
5-Amino-pentanoic acid [(S)-1-(4-butyl-pyridin-2-yl)-2-cyclohexyl-ethyl]-amide
Inchi KeyAAKQJTJLPOJEEF-NRFANRHFSA-N
Inchi IDInChI=1S/C22H37N3O/c1-2-3-9-19-13-15-24-20(16-19)21(17-18-10-5-4-6-11-18)25-22(26)12-7-8-14-23/h13,15-16,18,21H,2-12,14,17,23H2,1H3,(H,25,26)/t21-/m0/s1
PubChem CID44317458
ChEMBLCHEMBL78487
IUPHARN/A
BindingDB50093775
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
279B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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