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

General Information of Drug (ID: DR3435)
Drug Name
SNS-595
Synonyms
Voreloxin; Vosaroxin; AG 7352; SNS 595; SPC 595; AG 7352 (TN); AG-7352; SNS 595 (TN); SPC 595 (TN); SPC-595; Voreloxin (TN); Voreloxin (USAN); SNS-595 (TN); 1,4-Dihydro-7-(3-methoxy-4-methylamino-1-pyrrolidinyl)-4-oxo-1-(2-thiazolyl)-1,8-naphthyridine-3-carboxylic acid
Indication Acute myeloid leukaemia [ICD11: 2A60] Phase 3 [1]
Ovarian cancer [ICD11: ICD11: 2C73] Phase 2 [2]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 401.4 Topological Polar Surface Area 136
Heavy Atom Count 28 Rotatable Bond Count 5
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 10
Cross-matching ID
PubChem CID
9952884
CAS Number
175414-77-4
TTD Drug ID
D00NVM
Formula
C18H19N5O4S
Canonical SMILES
CN[C@H]1CN(C[C@@H]1OC)C2=NC3=C(C=C2)C(=O)C(=CN3C4=NC=CS4)C(=O)O
InChI
InChI=1S/C18H19N5O4S/c1-19-12-8-22(9-13(12)27-2)14-4-3-10-15(24)11(17(25)26)7-23(16(10)21-14)18-20-5-6-28-18/h3-7,12-13,19H,8-9H2,1-2H3,(H,25,26)/t12-,13-/m0/s1
InChIKey
XZAFZXJXZHRNAQ-STQMWFEESA-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
SNS-595 Metabolite M1 DM019000 N. A. Conjugation - Glucuronidation 1 [4]
SNS-595 Metabolite M2 DM016355
77295950
Unclear - Unclear 1 [4]
SNS-595 Metabolite M3 DM016354
75216113
Unclear - Unclear 1 [4]
SNS-595 Metabolite M4 DM018998 N. A. Oxidation - N-demethylation 1 [4]
SNS-595 Metabolite M2a DM018999 N. A. Reduction - Decarboxylation 2 [4]
SNS-595 Metabolite M6 DM016236
66618666
Oxidation - N,O-bis-demethylation 2 [4]
SNS-595 Metabolite M7 DM018997 N. A. Conjugation - Conjugation 2 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR011385 SNS-595 SNS-595 Metabolite M3 Unclear - Unclear Unclear [4]
MR011388 SNS-595 SNS-595 Metabolite M4 Oxidation - N-demethylation Unclear [4]
MR011390 SNS-595 SNS-595 Metabolite M2 Unclear - Unclear Unclear [4]
MR011392 SNS-595 SNS-595 Metabolite M1 Conjugation - Glucuronidation Unclear [4]
MR011391 SNS-595 Metabolite M2 SNS-595 Metabolite M2a Reduction - Decarboxylation Unclear [4]
MR011386 SNS-595 Metabolite M3 SNS-595 Metabolite M7 Conjugation - Conjugation Unclear [4]
MR011387 SNS-595 Metabolite M3 SNS-595 Metabolite M6 Oxidation - N,O-bis-demethylation Unclear [4]
MR011389 SNS-595 Metabolite M4 SNS-595 Metabolite M6 Oxidation - N,O-bis-demethylation Unclear [4]
⏷ Show the Full List of 8 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
UDP-glucuronyltransferase (UGT) DMEN064 . Not Available Not Available [3]
References
1 ClinicalTrials.gov (NCT01191801) Study of Vosaroxin or Placebo in Combination With Cytarabine in Patients With First Relapsed or Refractory AML (VALOR). U.S. National Institutes of Health.
2 Emerging drugs for ovarian cancer. Expert Opin Emerg Drugs. 2008 Sep;13(3):523-36.
3 Metabolism of (+)-1,4-dihydro-7-(trans-3-methoxy-4-methylamino-1-pyrrolidinyl)-4-oxo-1-(2-thiazolyl)-1,8-naphthyridine-3-carboxylic acid (voreloxin; formerly SNS-595), a novel replication-dependent DNA-damaging agent
4 Metabolism and disposition of the anticancer quinolone derivative vosaroxin, a novel inhibitor of topoisomerase II

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