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

General Information of Drug (ID: DR3015)
Drug Name
Caracemide
Synonyms NSC-253272
Indication Solid tumour/cancer [ICD11: 2A00-2F9Z] Discontinued in Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 189.17 Topological Polar Surface Area 87.7
Heavy Atom Count 13 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
54747
CAS Number
81424-67-1
TTD Drug ID
D0R5UZ
Formula
C6H11N3O4
Canonical SMILES
CC(=O)N(C(=O)NC)OC(=O)NC
InChI
InChI=1S/C6H11N3O4/c1-4(10)9(5(11)7-2)13-6(12)8-3/h1-3H3,(H,7,11)(H,8,12)
InChIKey
JURAJLFHWXNPHG-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
Caracemide Metabolite A DM015024
59886
Unclear - Unclear 1 [2]
Caracemide Metabolite B DM015807
12480934
Unclear - Unclear 1 [2]
Caracemide Metabolite C DM015109
96412
Unclear - Unclear 1 [2]
MIC DM014950
12228
Unclear - Unclear 1 [3]
SMG DM015270
363175
Unclear - Unclear 2 [3]
AMCC DM003931
108218
Unclear - Unclear 3 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR009393 Caracemide MIC Unclear - Unclear Unclear [3]
MR009396 Caracemide Caracemide Metabolite A Unclear - Unclear Unclear [2]
MR009397 Caracemide Caracemide Metabolite B Unclear - Unclear Unclear [2]
MR009398 Caracemide Caracemide Metabolite C Unclear - Unclear Unclear [2]
MR009394 MIC SMG Unclear - Unclear Unclear [3]
MR009395 SMG AMCC Unclear - Unclear Unclear [3]
⏷ Show the Full List of 6 MR(s)
References
1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000740)
2 The effect of the experimental antitumor agent caracemide on brain choline acetyltransferase
3 Studies on the metabolic fate of caracemide, an experimental antitumor agent, in the rat. Evidence for the release of methyl isocyanate in vivo

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