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Ligand

NameCHEMBL76023
Molecular formulaC25H31NO6
IUPAC namemethyl 2-[[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxymethyl]prop-2-enoate
Molecular weight441.524
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP0.5
Synonyms17-(Cyclopropylmethyl)-4,5alpha-epoxy-6beta-[2-(methoxycarbonyl)-2-propenyloxy]morphinan-3,14-diol
methyl 2-[4-cyclopropylmethyl-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-yloxymethyl]acrylate
BDBM50000790
methyl 2-[4-cyclopropylmethyl-10,17-dihydroxy-(13R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-14-yloxymethyl]acrylate
Inchi KeyZLKXBHFJETUNMU-WXIYZNRCSA-N
Inchi IDInChI=1S/C25H31NO6/c1-14(23(28)30-2)13-31-18-7-8-25(29)19-11-16-5-6-17(27)21-20(16)24(25,22(18)32-21)9-10-26(19)12-15-3-4-15/h5-6,15,18-19,22,27,29H,1,3-4,7-13H2,2H3/t18-,19-,22+,24+,25-/m1/s1
PubChem CID10026312
ChEMBLCHEMBL76023
IUPHARN/A
BindingDB50000790
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
431442Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
431440Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
431441Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
431443Mu-type opioid receptorP79350OPRM1Bos taurus (Bovine)401

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