Drug Information
Drug General Information | |||||
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Drug ID |
D0X3OI
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Former ID |
DNCL002699
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Drug Name |
TAK-700
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Synonyms |
Orteronel
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Drug Type |
Small molecular drug
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Indication | Prostate cancer [ICD9: 185; ICD10:C61] | Phase 3 | [1] | ||
Company |
Millennium Pharmaceuticals
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Structure |
Download2D MOL |
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Formula |
C28H28N4O7
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Canonical SMILES |
CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)C3(CCN4C3=CN=C4)O.C1=CC=C<br />(C=C1)NC(=O)C(C(C(=O)O)O)O
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InChI |
1S/C18H17N3O2.C10H11NO5/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21;12-7(8(13)10(15)16)9(14)11-6-4-2-1-3-5-6/h2-5,8-11,23H,6-7H2,1H3,(H,19,22);1-5,7-8,12-13H,(H,11,14)(H,15,16)/t;7-,8-/m.0/s1
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InChIKey |
BJFCREFPYFGAOP-WFVMVMIPSA-N
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PubChem Compound ID | |||||
PubChem Substance ID | |||||
Target and Pathway | |||||
Target(s) | 17 alpha-hydroxylase-C17, 20-lyase | Target Info | Modulator | [1] | |
BioCyc Pathway | Superpathway of steroid hormone biosynthesis | ||||
Glucocorticoid biosynthesis | |||||
Androgen biosynthesis | |||||
KEGG Pathway | Steroid hormone biosynthesis | ||||
Metabolic pathways | |||||
Ovarian steroidogenesis | |||||
Prolactin signaling pathway | |||||
PathWhiz Pathway | Androgen and Estrogen Metabolism | ||||
Steroidogenesis | |||||
Reactome | Androgen biosynthesis | ||||
Glucocorticoid biosynthesis | |||||
Endogenous sterols | |||||
WikiPathways | Metapathway biotransformation | ||||
Steroid Biosynthesis | |||||
Oxidation by Cytochrome P450 | |||||
Metabolism of steroid hormones and vitamin D | |||||
Glucocorticoid & Mineralcorticoid Metabolism | |||||
Prostate Cancer | |||||
Phase 1 - Functionalization of compounds | |||||
References | |||||
REF 1 | Orteronel (TAK-700), a novel non-steroidal 17,20-lyase inhibitor: effects on steroid synthesis in human and monkey adrenal cells and serum steroid levels in cynomolgus monkeys. J Steroid Biochem Mol Biol. 2012 Apr;129(3-5):115-28. | ||||
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