Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0M2IB
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| Former ID |
DNC003725
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| Drug Name |
MDL-18962
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| Synonyms |
Plomestane; UNII-FL3VS913TW; MDL-18962; 77016-85-4; FL3VS913TW; 10-(2-Propynyl)estr-4-ene-3,17-dione; Plomestane [USAN:INN]; MDL 18,962; 10-propargylestr-4-ene-3,17-dione; Estr-4-ene-3,17-dione, 10-(2-propynyl)-; Plomestane (USAN/INN); SCHEMBL3434; CHEMBL2105261; JKPDEYAOCSQBSZ-OEUJLIAZSA-N; ZINC4217337; BDBM50421840; 10beta-propargyl-estra-4-ene-3,17-dione; 10-(2-propynyl)-estr-4-ene-3,17-dione
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C21H26O2
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| Canonical SMILES |
CC12CCC3C(C1CCC2=O)CCC4=CC(=O)CCC34CC#C
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| InChI |
1S/C21H26O2/c1-3-10-21-12-8-15(22)13-14(21)4-5-16-17-6-7-19(23)20(17,2)11-9-18(16)21/h1,13,16-18H,4-12H2,2H3/t16-,17-,18-,20-,21-/m0/s1
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| InChIKey |
JKPDEYAOCSQBSZ-OEUJLIAZSA-N
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| CAS Number |
CAS 77016-85-4
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Aromatase (CYP19A1) | Target Info | Inhibitor | [1] |
| BioCyc | Superpathway of steroid hormone biosynthesis | |||
| Estradiol biosynthesis II | ||||
| Estradiol biosynthesis I | ||||
| KEGG Pathway | Steroid hormone biosynthesis | |||
| Metabolic pathways | ||||
| Ovarian steroidogenesis | ||||
| NetPath Pathway | FSH Signaling Pathway | |||
| Panther Pathway | Androgen/estrogene/progesterone biosynthesis | |||
| Pathwhiz Pathway | Androgen and Estrogen Metabolism | |||
| Reactome | Endogenous sterols | |||
| WikiPathways | Metapathway biotransformation | |||
| Tryptophan metabolism | ||||
| Oxidation by Cytochrome P450 | ||||
| Ovarian Infertility Genes | ||||
| Metabolism of steroid hormones and vitamin D | ||||
| FSH signaling pathway | ||||
| Integrated Breast Cancer Pathway | ||||
| Phase 1 - Functionalization of compounds | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | 6 beta-Propynyl-substituted steroids: mechanism-based enzyme-activated irreversible inhibitors of aromatase. J Med Chem. 1997 Sep 26;40(20):3263-70. | |||
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