Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0U9LL
|
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| Former ID |
DIB012693
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| Drug Name |
NKS-01
|
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| Synonyms |
14alpha-Hydroxy-4-androstene-3,6,17-trione
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| Drug Type |
Small molecular drug
|
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| Indication | Bladder cancer [ICD9: 188; ICD10:C67] | Discontinued in Phase 2 | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C19H24O4
|
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| Canonical SMILES |
CC12CCC(=O)C=C1C(=O)CC3C2CCC4(C3(CCC4=O)O)C
|
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| InChI |
1S/C19H24O4/c1-17-6-3-11(20)9-14(17)15(21)10-13-12(17)4-7-18(2)16(22)5-8-19(13,18)23/h9,12-13,23H,3-8,10H2,1-2H3/t12-,13+,17+,18+,19?/m0/s1
|
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| InChIKey |
UKVVNEHFNYKGMX-WHMNXGKUSA-N
|
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| CAS Number |
CAS 120051-39-0
|
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| PubChem Compound ID | |||||
| PubChem Substance ID | |||||
| Target and Pathway | |||||
| Target(s) | Cytochrome P450 19 | Target Info | Inhibitor | [2], [3] | |
| BioCyc Pathway | 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 | |||||
| REF 1 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800003076) | ||||
| REF 2 | Effects of aromatase inhibitors on the pathobiology of the human breast, endometrial and ovarian carcinoma. Endocr Relat Cancer. 1999 Jun;6(2):197-204. | ||||
| REF 3 | Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015 | ||||
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