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Ligand

NameCHEMBL309783
Molecular formulaC24H32N4O3
IUPAC name1-[[(3S)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-3-ethylurea
Molecular weight424.545
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP2.3
SynonymsBDBM50101631
1-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionyl]-1,2,3,4-tetrahydro-isoquinolin-3-ylmethyl}-3-ethyl-urea
(S)-1-[(3S)-3-(3-Ethylureidomethyl)-1,2,3,4-tetrahydroisoquinoline-2-yl]-3-(2,6-dimethyl-4-hydroxyphenyl)-2-amino-1-propanone
Inchi KeyAKFDHTVXZQKREB-UGKGYDQZSA-N
Inchi IDInChI=1S/C24H32N4O3/c1-4-26-24(31)27-13-19-11-17-7-5-6-8-18(17)14-28(19)23(30)22(25)12-21-15(2)9-20(29)10-16(21)3/h5-10,19,22,29H,4,11-14,25H2,1-3H3,(H2,26,27,31)/t19-,22-/m0/s1
PubChem CID11112699
ChEMBLCHEMBL309783
IUPHARN/A
BindingDB50101631
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
7485Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
7486Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
7484Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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