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Ligand

NameCHEMBL146108
Molecular formulaC25H33N3O3
IUPAC name(3S)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-N-tert-butyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
Molecular weight423.557
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP3.1
SynonymsBDBM50083165
(S)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionyl]-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid tert-butylamide
Inchi KeyASKBYBNQNYTQNX-VXKWHMMOSA-N
Inchi IDInChI=1S/C25H33N3O3/c1-15-10-19(29)11-16(2)20(15)13-21(26)24(31)28-14-18-9-7-6-8-17(18)12-22(28)23(30)27-25(3,4)5/h6-11,21-22,29H,12-14,26H2,1-5H3,(H,27,30)/t21-,22-/m0/s1
PubChem CID10526305
ChEMBLCHEMBL146108
IUPHARN/A
BindingDB50083165
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
13228Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
13229Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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