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Ligand

NameCHEMBL171763
Molecular formulaC23H31N3O3
IUPAC name2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(2R)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]propanamide
Molecular weight397.519
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP3.1
SynonymsSCHEMBL2268939
BDBM50036787
2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[(R)-1-(3-phenyl-propylcarbamoyl)-ethyl]-propionamide
Inchi KeyDGIVTTGQFOQCPP-OQHSHRKDSA-N
Inchi IDInChI=1S/C23H31N3O3/c1-15-12-19(27)13-16(2)20(15)14-21(24)23(29)26-17(3)22(28)25-11-7-10-18-8-5-4-6-9-18/h4-6,8-9,12-13,17,21,27H,7,10-11,14,24H2,1-3H3,(H,25,28)(H,26,29)/t17-,21?/m1/s1
PubChem CID13656668
ChEMBLCHEMBL171763
IUPHARN/A
BindingDB50036787
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
59300Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
59301Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
59299Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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