General Information of Drug (ID: DR3473)
Drug Name	TAK-700
Synonyms	Orteronel
Indication	Prostate cancer [ICD11: 2C82]				Phase 3	[1]
Structure
	3D MOL			2D MOL
Pharmaceutical Properties	Molecular Weight		307.3	Topological Polar Surface Area		67.2
	Heavy Atom Count		23	Rotatable Bond Count		2
	Hydrogen Bond Donor Count		2	Hydrogen Bond Acceptor Count		3
Cross-matching ID	PubChem CID 9883029 ChEBI ID CHEBI:94965 TTD Drug ID D0X3OI Formula C18H17N3O2 Canonical SMILES CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)C3(CCN4C3=CN=C4)O InChI InChI=1S/C18H17N3O2/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/h2-5,8-11,23H,6-7H2,1H3,(H,19,22) InChIKey OZPFIJIOIVJZMN-UHFFFAOYSA-N

The Metabolic Roadmap of This Drug

The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF Orteronel M1 DM019009 N. A. Unclear - Unclear 1 [3]

The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF MR011410 TAK-700 Orteronel M1 Unclear - Unclear CYP [3]

Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF Cytochrome P450 (CYP) DMEN060 . Not Available Not Available [2]

References
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.
2	Preclinical assessment of Orteronel(?), a CYP17A1 enzyme inhibitor in rats
3	A Phase 1, Randomized, Single-Dose Crossover Pharmacokinetic Study to Investigate the Effect of Food Intake on Absorption of Orteronel (TAK-700) in Healthy Male Subjects

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.