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

General Information of Drug (ID: DR3405)
Drug Name
Laromustine
Synonyms Cloretazine; Onrigin; Alkylating agents, Vion; SHP, Vion; Sulfonyl hydrazine prodrugs, Vion; VN-40101M; VNP-40101M; VNP-4090-CE; 90CE
Indication Solid tumour/cancer [ICD11: 2A00-2F9Z] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 307.8 Topological Polar Surface Area 121
Heavy Atom Count 17 Rotatable Bond Count 5
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
3081349
CAS Number
173424-77-6
TTD Drug ID
D0E5DB
Formula
C6H14ClN3O5S2
Canonical SMILES
CNC(=O)N(N(CCCl)S(=O)(=O)C)S(=O)(=O)C
InChI
InChI=1S/C6H14ClN3O5S2/c1-8-6(11)10(17(3,14)15)9(5-4-7)16(2,12)13/h4-5H2,1-3H3,(H,8,11)
InChIKey
PVCULFYROUOVGJ-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
MIC DM014950
12228
Unclear - Unclear 1 [2]
VNP4090CE DM015628
10198873
Unclear - Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR013879 Laromustine Methylisocyanate Unclear - Unclear Unclear [2]
MR013880 Laromustine VNP4090CE Unclear - Unclear Unclear [2]
References
1 ClinicalTrials.gov (NCT00112554) Cytarabine With or Without VNP40101M in Treating Patients With Relapsed Acute Myeloid Leukemia. U.S. National Institutes of Health.
2 Development and Validation of LC-MS-MS Assay for the Determination of the Emerging Alkylating Agent Laromustine and Its Active Metabolite in Human Plasma

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