Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME) | INTEDE

General Information of Drug (ID: DR3269)
Drug Name	KLH-2109
Synonyms	.
Indication	Endometriosis [ICD11: GA10]				Phase 2	[1]
Structure
Structure	3D MOL			2D MOL
Pharmaceutical Properties	Molecular Weight		508.4	Topological Polar Surface Area		143
	Heavy Atom Count		35	Rotatable Bond Count		7
	Hydrogen Bond Donor Count		2	Hydrogen Bond Acceptor Count		11
Cross-matching ID	PubChem CID 16656889 CAS Number 935283-04-8 TTD Drug ID D08FKH Formula C22H15F3N2O7S Canonical SMILES COC1=C(C(=C(C=C1)F)F)COC2=C(C=C(C(=C2)N3C(=O)C4=C(SC=C4NC3=O)C(=O)O)F)OC InChI InChI=1S/C22H15F3N2O7S/c1-32-14-4-3-10(23)18(25)9(14)7-34-16-6-13(11(24)5-15(16)33-2)27-20(28)17-12(26-22(27)31)8-35-19(17)21(29)30/h3-6,8H,7H2,1-2H3,(H,26,31)(H,29,30) InChIKey BMAAMIIYNNPHAB-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
KP017	DM019731	N. A.	Unclear - Unclear	1	[2]
KP046	DM019732	N. A.	Unclear - Unclear	1	[2]

The Full List of Metabolic Reaction (MR) of This Drug

MR ID	Reactant	Product	MR Type	DME	REF
MR012460	KLH-2109	KP017	Unclear - Unclear	CYP2C9	[2]
MR012461	KLH-2109	KP046	Unclear - Unclear	CYP3A4 ...	[2]

References
1	ClinicalTrials.gov (NCT01533532) A Randomized, Placebo-controlled, Double-blind Study of KLH-2109 in Patients With Endometriosis (2). U.S. National Institutes of Health.
2	Label:KLH-2109

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