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

General Information of Drug (ID: DR3292)
Drug Name
Verubulin
Synonyms
Azixa; Verubulin hydrochloride; EP-128495; MPC-6827; Apoptosis inducer (cancer), Myriad; Caspase inducer (cancer), Myriad; Cell cycle arrest inducer (cancer), Myriad; Tubulin inhibitor (cancer), Myriad
Indication Brain cancer [ICD11: 2A00] Phase 2 [1]
Brain metastases [ICD11: ICD11: 2D50-2E2Z] Phase 2 [2]
Solid tumour/cancer [ICD11: ICD11: 2A00-2F9Z] Phase 2 [3]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 279.34 Topological Polar Surface Area 38.2
Heavy Atom Count 21 Rotatable Bond Count 3
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
11414799
CAS Number
827031-83-4
TTD Drug ID
D09BOH
Formula
C17H17N3O
Canonical SMILES
CC1=NC2=CC=CC=C2C(=N1)N(C)C3=CC=C(C=C3)OC
InChI
InChI=1S/C17H17N3O/c1-12-18-16-7-5-4-6-15(16)17(19-12)20(2)13-8-10-14(21-3)11-9-13/h4-11H,1-3H3
InChIKey
SNHCRNMVYDHVDT-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
MPI-0440627 DM015764
11471089
Oxidation - O-demethylation 1 [4]
MPI-0441275 DM018432 N. A. Oxidation - N-demethylation 1 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR010458 Verubulin MPI-0440627 Oxidation - O-demethylation CYP3A4 ... [4]
MR010459 Verubulin MPI-0441275 Oxidation - N-demethylation Unclear [4]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[4]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[4]
Mephenytoin 4-hydroxylase (CYP2C19) DME0021 Homo sapiens
CP2CJ_HUMAN
1.14.14.1
[4]
References
1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3 ClinicalTrials.gov (NCT01285414) Verubulin, Radiation Therapy, and Temozolomide to Treat Patients With Newly Diagnosed Glioblastoma Multiforme. U.S. National Institutes of Health.
4 Phase I clinical trial of MPC-6827 (Azixa), a microtubule destabilizing agent, in patients with advanced cancer

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