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Name | Onapristone |
---|---|
Molecular formula | C29H39NO3 |
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 weight | 449.635 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 3.2 |
Synonyms | IVV-1001 Onapristonum ZK 98299 11 beta-(4-dimethylaminophenyl)-17 alpha-hydroxy-17 beta-(3-hydroxypropyl)-13 alpha-methyl-4,9-gonadien-3-one C29H39NO3 [ Show all ] |
Inchi Key | IEXUMDBQLIVNHZ-YOUGDJEHSA-N |
Inchi ID | InChI=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 CID | 5311505 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | DB12637 |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
549552 | Adhesion G-protein coupled receptor D1 | Q6QNK2 | ADGRD1 | Homo sapiens (Human) | 874 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218