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Ligand

NameCHEMBL599323
Molecular formulaC21H27NO4
IUPAC name(1R,5S,6R,14S)-6-[cyclopropylmethyl(methyl)amino]-14-ethyl-5,11-dihydroxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-one
Molecular weight357.45
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.3
Synonyms(2R,2aS,2a1S,5aR)-2-((cyclopropylmethyl)(methyl)amino)-2a1-ethyl-2a,7-dihydroxy-2,2a,2a1,3,4,5a-hexahydrophenanthro[4,5-bcd]furan-5(1H)-one hydrochloride
BDBM50310295
CHEMBL1198239
Inchi KeyAFWQBADFAUBXEN-MBPVOVBZSA-N
Inchi IDInChI=1S/C21H27NO4/c1-3-20-17-13-6-7-14(23)18(17)26-19(20)15(24)8-9-21(20,25)16(10-13)22(2)11-12-4-5-12/h6-7,12,16,19,23,25H,3-5,8-11H2,1-2H3/t16-,19+,20+,21-/m1/s1
PubChem CID46232169
ChEMBLN/A
IUPHARN/A
BindingDB50310295
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
4565Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
4566Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98

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