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

General Information of Drug (ID: DR3139)
Drug Name
Benzoylphenylurea
Synonyms benzoylphenylurea; SCHEMBL83109
Indication Solid tumour/cancer [ICD11: 2A00-2F9Z] Phase 1 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 240.26 Topological Polar Surface Area 63.4
Heavy Atom Count 18 Rotatable Bond Count 2
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
19851629
Formula
C14H12N2O2
Canonical SMILES
C1=CC=C(C=C1)C(=O)N(C2=CC=CC=C2)C(=O)N
InChI
InChI=1S/C14H12N2O2/c15-14(18)16(12-9-5-2-6-10-12)13(17)11-7-3-1-4-8-11/h1-10H,(H2,15,18)
InChIKey
XYFMGGWVGACNEC-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
G373 DM018374 N. A. Unclear - Unclear 1 [2] , [3]
MmBPU DM015642
10253524
Oxidation - Desmethylation 1 [2] , [3]
AminoBPU DM015271
372559
Oxidation - Di-desmethylation 2 [2] , [3]
G280 DM015776
11659170
Unclear - Unclear 2 [2] , [3]
G308 DM016376
86089267
Unclear - Unclear 2 [2] , [3]
G322 DM015989
21659447
Unclear - Unclear 3 [2] , [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR010376 Benzoylphenylurea MmBPU Oxidation - Desmethylation CYP1A1 ... [2], [3]
MR010381 Benzoylphenylurea G373 Unclear - Unclear Unclear [2], [3]
MR010377 MmBPU AminoBPU Oxidation - Di-desmethylation Unclear [2], [3]
MR010379 MmBPU G308 Unclear - Unclear Unclear [2], [3]
MR010380 MmBPU G280 Unclear - Unclear Unclear [2], [3]
MR010378 AminoBPU G322 Unclear - Unclear Unclear [2], [3]
⏷ Show the Full List of 6 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 1A1 (CYP1A1) DME0006 Homo sapiens
CP1A1_HUMAN
1.14.14.1
[2] , [3]
Cytochrome P450 2C8 (CYP2C8) DME0018 Homo sapiens
CP2C8_HUMAN
1.14.14.1
[2] , [3]
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[2] , [3]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2] , [3]
Cytochrome P450 3A5 (CYP3A5) DME0012 Homo sapiens
CP3A5_HUMAN
1.14.14.1
[2] , [3]
Cytochrome P450 3A7 (CYP3A7) DME0015 Homo sapiens
CP3A7_HUMAN
1.14.14.1
[2] , [3]
⏷ Show the Full List of 6  DME(s)
References
1 ClinicalTrials.gov (NCT00010205) Benzoylphenylurea in Treating Patients With Advanced Cancer
2 In vitro and in vivo clinical pharmacology of dimethyl benzoylphenylurea, a novel oral tubulin-interactive agent
3 Phase I study of continuous weekly dosing of dimethylamino benzoylphenylurea (BPU) in patients with solid tumours

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