Drug Information

Drug General Information
Drug ID
D0U9LL
Former ID
DIB012693
Drug Name
NKS-01
Synonyms
14alpha-Hydroxy-4-androstene-3,6,17-trione
Drug Type
Small molecular drug
Indication Bladder cancer [ICD9: 188; ICD10:C67] Discontinued in Phase 2 [545382]
Structure
Download
2D MOL

3D MOL
Formula
C19H24O4
Canonical SMILES
CC12CCC(=O)C=C1C(=O)CC3C2CCC4(C3(CCC4=O)O)C
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
InChIKey
UKVVNEHFNYKGMX-WHMNXGKUSA-N
CAS Number
CAS 120051-39-0
PubChem Compound ID
129009
PubChem Substance ID
29307945, 50144426, 57342842, 104369500, 129382895, 226507809
Target and Pathway
Target(s) Cytochrome P450 19 Target Info Inhibitor [525727], [551871]
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 545382Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800003076)
Ref 525727Effects of aromatase inhibitors on the pathobiology of the human breast, endometrial and ovarian carcinoma. Endocr Relat Cancer. 1999 Jun;6(2):197-204.
Ref 551871Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015

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