| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 17 | No |
Popular Name: Aminoglutethimide Aminoglutethimide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 125-84-8 , 62268-19-3 , N/A , [125-84-8]
( inverted question mark)-p-Aminoglutethimide
(+-)-3-(p-Aminophenyl)-3-ethyl-2,6-piperidinedione
.alpha.-(p-Aminophenyl)-.alpha.-ethylglutarimide
125-84-8; Aminoglutethimide (USP/INN); Cytadren (TN); D00574
125-84-8; Aminoglutethimide; C07617
125-84-8; Glutethimide, para-amino; Prestwick_243
2,6-Piperidinedione, 3-(4-aminophenyl)-3-ethyl-
2-(p-Aminophenyl)-2-ethylglutarimide
3-(4-Amino-phenyl)-3-ethyl-piperidine-2,6-dione
3-(4-Aminophenyl)-3-ethyl-2,6-piperidindion
3-(4-Aminophenyl)-3-ethyl-2,6-piperidinedione
3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione
3-(p-Aminophenyl)-3-ethylpiperidine-2,6-dione
3-Ethyl-3-(p-aminophenyl)-2,6-dioxopiperidine
alpha-(p-Aminophenyl)-alpha-ethylglutarimide
aminoglutethimide; aminoglutethimidum; aminoglutetimida
Aminoglutethimide; CPD000326785; DL-Aminoglutethimide; SAM002589964
Aminoglutethimide; CPD000326785; SAM002589964
Aminoglutethimidum [INN-Latin]
Aminoglutetimida [INN-Spanish]
Ciba Vision Brand of Aminoglutethimide
Dl-Aminoglutethimide;P-Aminoglutethimide
Glutarimide, 2-(p-aminophenyl)-2-ethyl-
Novartis Brand of Aminoglutethimide
| 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) | 0.76 | 2.15 | -10.17 | 3 | 4 | 0 | 72 | 232.283 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| biological_use | . | ZereneX Building Blocks |
| MP | 152 | TCI |
| MP | 152 - 154 | Enamine Building Blocks |
| MP | 152...154 | Enamine Building Blocks |
| ALOGPS_SOLUBILITY | 3.71e-01 g/l | DrugBank-approved |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| mechanism | Androgen synthesis inhibitor | IBScreen Bioactives |
| Target | Aromatase | Selleck Chemicals |
| mechanism | Aromatase inhibitor | IBScreen Bioactives |
| therap | aromatase inhibitor, antineoplastic, testosterone suppressant | MicroSource Spectrum |
| mechanism | Aromatase inhibitor | IBScreen Bioactives |
| mechanism | Cholesterol desmolase inhibitor | IBScreen Bioactives |
| mechanism | Corticosteroid antagonist | IBScreen Bioactives |
| mechanism | Corticosteroid synthesis inhibitor | IBScreen Bioactives |
| PUBCHEM_PATENT_ID | EP0117693A2; EP0234600A1; US4614712; US4816462; US4879249; US5550107; WO1986001105A1; WO1990010462A1; WO2000037107A2; WO2000038665A2; WO2000038718A2; WO2000038719A1; WO2000038730A2; WO2000038786A2; WO2000056710A1 | IBM Patent Data |
| biological_use | Inhibits adrenal corticosteroid synthesis | IBScreen Bioactives |
| Therapy | Inhibits Cytochrome P450-dependent hydroxylation reactions that are necessary for aromatization; inhibits conversion of | SMDC Iconix |
| mechanism | Inhibits hydroxylations required for aromatization of androgens to estrogens | IBScreen Bioactives |
| mechanism | Mineralocorticoid synthesis inhibitor | IBScreen Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : A-8903; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE CRYSTALLINE POWDER | NIH Clinical Collection via PubChem |
| biological_use | Now used as aromatase inhibitor for treatment of breast cancer in postmenopausal women and for treatment of secondary hyperaldosteronism and oedema | IBScreen Bioactives |
| biological_use | Originally used as anticonvulsant, withdrawn due to adrenotoxicity. | IBScreen Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: A-8903; SUPPLIER_COMMENTS: WHITE CRYSTALLINE POWDER | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP19A-1-E | Cytochrome P450 19A1 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 6200 | 0.43 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP19A_RAT | P22443 | Cytochrome P450 19A1, Rat | 260 | 0.54 | Binding ≤ 1μM |
| CP19A_HUMAN | P11511 | Cytochrome P450 19A1, Human | 270 | 0.54 | Binding ≤ 1μM |
| CP19A_RAT | P22443 | Cytochrome P450 19A1, Rat | 260 | 0.54 | Binding ≤ 10μM |
| CP19A_HUMAN | P11511 | Cytochrome P450 19A1, Human | 10000 | 0.41 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Endogenous sterols | |
| Estrogen biosynthesis |
