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

General Information of Drug (ID: DR4631)
Drug Name
Tarloxotinib
Prodrug Info Tarloxotinib is the prodrug of Debio 1452
Synonyms
Tarloxotinib cation; UNII-H8768UL06V; H8768UL06V; [(E)-4-[[4-(3-bromo-4-chloroanilino)pyrido[3,4-d]pyrimidin-6-yl]amino]-4-oxobut-2-enyl]-dimethyl-[(3-methyl-5-nitroimidazol-4-yl)methyl]azanium; Tarloxotinib ion; GTPL9409; CHEMBL4297661; SCHEMBL19733352; PR610; DB14944; TH-4000; Q27279755; 1636938-13-0
Indication Lung cancer [ICD11: 2C25] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 601.9 Topological Polar Surface Area 143
Heavy Atom Count 38 Rotatable Bond Count 8
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
51038316
CAS Number
1636938-13-0
TTD Drug ID
DUW81M
Formula
C24H24BrClN9O3+
Canonical SMILES
CN1C=NC(=C1C[N+](C)(C)C/C=C/C(=O)NC2=NC=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)Cl)Br)[N+](=O)[O-]
InChI
InChI=1S/C24H23BrClN9O3/c1-33-14-30-24(34(37)38)20(33)12-35(2,3)8-4-5-22(36)32-21-10-16-19(11-27-21)28-13-29-23(16)31-15-6-7-18(26)17(25)9-15/h4-7,9-11,13-14H,8,12H2,1-3H3,(H-,27,28,29,31,32,36)/p+1/b5-4+
InChIKey
MUJMYVFVAWFUJL-SNAWJCMRSA-O
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
Debio 1452 DM020050
10407120
Reduction - Reduction 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR014203 TH-4000 TH-4000E Reduction - Reduction AKR [2]
References
1 ClinicalTrials.gov (NCT02454842) Study for Treatment of Patients With EGFR Mutant, T790M-negative NSCLC (TH-4000). U.S. National Institutes of Health.
2 Targeting the hypoxic fraction of tumours using hypoxia-activated prodrugs

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