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Ligand

NameCHEMBL604522
Molecular formulaC21H25NO4
IUPAC name(1S,5R,13S,17R)-17-[cyclopropylmethyl(methyl)amino]-8-hydroxy-6,16-dioxapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-7,9,11-trien-4-one
Molecular weight355.434
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.1
SynonymsCHEMBL1198453
BDBM50310292
Inchi KeyAFQDTMLOPHOESA-MBPVOVBZSA-N
Inchi IDInChI=1S/C21H25NO4/c1-22(11-12-2-3-12)16-10-13-4-5-14(23)18-17(13)20-8-9-25-21(16,20)7-6-15(24)19(20)26-18/h4-5,12,16,19,23H,2-3,6-11H2,1H3/t16-,19+,20+,21-/m1/s1
PubChem CID46232163
ChEMBLN/A
IUPHARN/A
BindingDB50310292
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
4393Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
4394Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98

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