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Ligand

NameSCHEMBL2519721
Molecular formulaC27H39N3O3
IUPAC name(2S)-2-amino-N-[(2R)-2-[4-(2-methylpentoxy)phenyl]-2-[[(2S)-2-phenylpropanoyl]amino]ethyl]butanamide
Molecular weight453.627
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP4.8
SynonymsCHEMBL3715029
Inchi KeyDQBNMBXDIFRRKG-KLZVSMTBSA-N
Inchi IDInChI=1S/C27H39N3O3/c1-5-10-19(3)18-33-23-15-13-22(14-16-23)25(17-29-27(32)24(28)6-2)30-26(31)20(4)21-11-8-7-9-12-21/h7-9,11-16,19-20,24-25H,5-6,10,17-18,28H2,1-4H3,(H,29,32)(H,30,31)/t19?,20-,24-,25-/m0/s1
PubChem CID51355031
ChEMBLCHEMBL3715029
IUPHARN/A
BindingDBN/A
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
523493Probable G-protein coupled receptor 88Q9GZN0GPR88Homo sapiens (Human)384

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