| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2005 | 22 | No |
Popular Name: Norethindrone Norethindrone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 434-03-7 , 68-22-4 , 68-23-5 , [434-03-7] , [68-22-4]
(17beta)-17-Ethynyl-17-hydroxyestr-4-en-3-one
17-alpha-Ethynyl-19-nortestosterone
17-alpha-Ethynyl-4-estren-17-ol-3-one
17-Ethynyl-17-hydroxyestr-4-en-3-one
17-ethynyl-17beta-hydroxyestr-4-en-3-one
17.alpha.-Ethinyl-19-nortestosterone
17.alpha.-Ethynyl-19-nortestosterone
17.alpha.-Ethynyl-4-estren-17-ol-3-one
17alpha-Ethinyl-19-nortestosterone
17alpha-Ethynyl-19-nortestosterone
17alpha-Ethynyl-4-estren-17-ol-3-one
17_-Hydroxy-4,17_-pregnen-20-yn-3-one
19-Nor-17-alpha-ethynyltestosterone
19-Nor-17-ethinyl testosterone
19-Nor-17.alpha.-ethynyltestosterone
19-Nor-17alpa-ethynyltestosterone
19-Nor-17alpha-ethynyltestosterone
19-Nor-ethinyl--4,5-testosterone
19-Norethindrone; 68-22-4; CPD000499579; SAM002564223
19-Norethindrone; CPD000499579; SAM002564223
19-Nortestosterone, 17-ethynyl-
4,17_-Pregnen-17_-ol-20-yn-3-one
4-Estren-17alpha-ethynyl-17beta-ol-3-one
68-22-4; Norethindrone; Prestwick_646
68-23-5; C14249; Norethynodrel
68-23-5; D05207; Norethynodrel (USP); Noretynodrel (INN)
68-23-5; Norethynodrel; Prestwick_883
estr-4-en-3-one, 17-ethynyl-17-hydroxy-, (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) | 3.07 | 8.05 | -6.86 | 1 | 2 | 0 | 37 | 298.426 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 97% | APIChem |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : N-1547; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER | NIH Clinical Collection via PubChem |
| Therapy | progestogen | SMDC Pharmakon |
| Therapy | progestogen, in combination with estrogen as oral contraceptive | SMDC Pharmakon |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: N-1547; SUPPLIER_COMMENTS: WHITE POWDER | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ESR1-2-E | Estrogen Receptor Alpha (cluster #2 Of 5), Eukaryotic | Eukaryotes | 1 | 0.57 | Binding ≤ 10μM |
| ESR2-2-E | Estrogen Receptor Beta (cluster #2 Of 4), Eukaryotic | Eukaryotes | 1 | 0.57 | Binding ≤ 10μM |
| PRGR-1-E | Progesterone Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 3 | 0.54 | Binding ≤ 10μM |
| PRGR-2-E | Progesterone Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 2 | 0.55 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ESR1_RAT | P06211 | Estrogen Receptor Alpha, Rat | 0.63 | 0.59 | Binding ≤ 1μM |
| ESR2_RAT | Q62986 | Estrogen Receptor Beta, Rat | 0.63 | 0.59 | Binding ≤ 1μM |
| PRGR_HUMAN | P06401 | Progesterone Receptor, Human | 0.4 | 0.60 | Binding ≤ 1μM |
| ESR1_RAT | P06211 | Estrogen Receptor Alpha, Rat | 0.63 | 0.59 | Binding ≤ 10μM |
| ESR2_RAT | Q62986 | Estrogen Receptor Beta, Rat | 0.63 | 0.59 | Binding ≤ 10μM |
| PRGR_HUMAN | P06401 | Progesterone Receptor, Human | 0.4 | 0.60 | Binding ≤ 10μM |
| PRGR_HUMAN | P06401 | Progesterone Receptor, Human | 2.2 | 0.55 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Nuclear Receptor transcription pathway | |
| Nuclear signaling by ERBB4 |
