| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 32 | No |
Popular Name: Mifepristone Mifepristone
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 84371-65-3
(11beta,17beta)-11-(4-(Dimethylamino)-phenyl)-17-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one
(11beta,17beta)-11-(4-(Dimethylamino)phenyl)-17-hydroxy-17-(1-propynyl)-estra-4,9-dien-3-one
(11beta,17beta)-11-(4-(Dimethylamino)phenyl)-17-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one
(11beta,17beta)-11-[4-(dimethylamino)phenyl]-17-hydroxy-17-prop-1-yn-1-ylestra-4,9-dien-3-one
11-[4-(dimethylamino)phenyl]-17-hydroxy-17-(prop-1-yn-1-yl)estra-4,9-dien-3-one
11beta-(4-(Dimethylamino)phenyl)-17-hydroxy-21-methyl-19-nor-17alpha-pregna-4,9-dien-20-m-3-on
11beta-(4-(Dimethylamino)phenyl)-17beta-hydroxy-17-(1-propynyl)estra-4,9-dien-3-on
11beta-(4-(N,N-Dimethylamino)phenyl)-17alpha-(prop-1-ynyl)-delta4,9-estradiene-17beta-ol-3-one
11beta-(4-Dimethyl-?amino)-?phenyl-17beta-hydroxy-17-(1-propynyl)-?estra-4,9-dien-3-one
11beta-(p-(Dimethylamino)phenyl)-17beta-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one
17-beta-Hydroxy-11-beta-(4-dimethylaminophenyl-1)-17-alpha-(prop-1-ynyl)oestra-4,9-dien-3-one
84371-65-3; C07652; Mifepristone; RU-486
84371-65-3; D00585; Korlym (TN); Mifeprex (TN); Mifepristone (USAN/INN)
84371-65-3; Mifepristone; Prestwick_570
Contragest Brand of Mifepristone
CPD000058481; MIFEPRISTONE; SAM001246881
Estra-4,9-dien-3-one, 11-(4-(dimethylamino)phenyl)-17-hydroxy-17-(1-propynyl)-, (11-beta,17-beta)-
Estra-4,9-dien-3-one, 11-(4-(dimethylamino)phenyl)-17-hydroxy-17-(1-propynyl)-, (11beta,17beta)-
estra-4,9-dien-3-one, 11-[4-(dimethylamino)phenyl]-17-hydroxy-17-(1-propynyl)-, (11b,17b)-
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 5.60 | 12.13 | -10.13 | 1 | 3 | 0 | 41 | 429.604 | 2 | ↓ |
| Ref Reference (pH 7) | 6.34 | 10.15 | -7.73 | 2 | 3 | 0 | 44 | 429.604 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 6.34 | 10.92 | -70.79 | 3 | 3 | 0 | 45 | 430.612 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 195 | TCI |
| ALOGPS_SOLUBILITY | 3.36e-03 g/l | DrugBank-approved |
| Purity | 99% | APIChem |
| Patent Database Links | EP1726307; EP1738759; EP1862182; EP1870089; EP1886695; EP1941886; EP1987820; EP1990044; US2004142904; US2007179113; US2007190022; US2007196269; US2007197488; US2007213306; US2007254858; US2007258951; US2007259014; US2007259844; US2007270393; US2008057068 | ChEBI |
| Target | Estrogen/progestogen Receptor | Selleck Chemicals |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sigma Chemical Company; NCC_SUPPLIER_STRUCTURE_ID : M8046 | NIH Clinical Collection via PubChem |
| Therapy | progesterone antagonist, abortion inducer | SMDC Pharmakon |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sigma Chemical Company; SUPPLIER_STRUCTURE_ID: M8046 | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PRGR-1-E | Progesterone Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1 | 0.39 | Binding ≤ 10μM |
| PRGR-2-E | Progesterone Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 0 | 0.00 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PRGR_HUMAN | P06401 | Progesterone Receptor, Human | 1.1 | 0.39 | Binding ≤ 1μM |
| PRGR_HUMAN | P06401 | Progesterone Receptor, Human | 1.1 | 0.39 | Binding ≤ 10μM |
| PRGR_HUMAN | P06401 | Progesterone Receptor, Human | 0.3 | 0.42 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Nuclear Receptor transcription pathway | |
| Nuclear signaling by ERBB4 |
