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Ligand

NameOnapristone
Molecular formulaC29H39NO3
IUPAC name(8S,11R,13R,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-17-(3-hydroxypropyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Molecular weight449.635
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.2
Synonyms11beta-(p-(Dimethylamino)phenyl)-17alpha-hydroxy-17-(3-hydroxypropyl)-13alpha-estra-4,9-dien-3-one
CCRIS 6530
Estra-4,9-dien-3-one, 11-(4-(dimethylamino)phenyl)-17-hydroxy-17-(3-hydroxypropyl)-, (11-beta,13-alpha,17-alpha)-
K740
Onapristonum [Latin]
[ Show all ]
Inchi KeyIEXUMDBQLIVNHZ-YOUGDJEHSA-N
Inchi IDInChI=1S/C29H39NO3/c1-28-18-25(19-5-8-21(9-6-19)30(2)3)27-23-12-10-22(32)17-20(23)7-11-24(27)26(28)13-15-29(28,33)14-4-16-31/h5-6,8-9,17,24-26,31,33H,4,7,10-16,18H2,1-3H3/t24-,25+,26-,28+,29+/m0/s1
PubChem CID5311505
ChEMBLN/A
IUPHARN/A
BindingDBN/A
DrugBankDB12637

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
549552Adhesion G-protein coupled receptor D1Q6QNK2ADGRD1Homo sapiens (Human)874

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