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

General Information of Drug (ID: DR2901)
Drug Name
PD-153035
Synonyms
183322-45-4; PD153035 hydrochloride; N-(3-Bromophenyl)-6,7-dimethoxyquinazolin-4-amine hydrochloride; PD153035 HCl; PD 153035 HYDROCHLORIDE; PD-153035 hydrochloride; PD153035 (Hydrochloride); Tyrphostin AG 1517; AG 1517 hydrochloride; SU-5271 hydrochloride; UNII-AHJ252P69N; ZM 252868; SU 5271; AG 1517; 4-[(3-BROMOPHENYL)AMINO]-6,7-DIMETHOXYQUINAZOLINE HYDROCHLORIDE; AHJ252P69N; pd 153035; PD153035.HCl; CHEMBL1204168; 6,7-Dimethoxy-4-[N-(3-bromophenyl)amino]quinazoline hydrochloride; C16H15BrClN3O2; 4-Quinazolinamine, N-(3-bromo
Indication Psoriasis vulgaris [ICD11: EA90] Discontinued in Phase 1 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 360.2 Topological Polar Surface Area 56.3
Heavy Atom Count 22 Rotatable Bond Count 4
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
4705
ChEBI ID
CHEBI:91076
CAS Number
153436-54-5
TTD Drug ID
D0Q7HO
Formula
C16H14BrN3O2
Canonical SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Br)OC
InChI
InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
InChIKey
LSPANGZZENHZNJ-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
PD-153035 M1 DM019567 N. A. Oxidation - N-oxidation 1 [2]
PD-153035 M2 DM015670
10382956
Oxidation - 7-O-desmethylation 1 [2]
PD-153035 M3 DM019568 N. A. Oxidation - O-demethylation 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR012218 PD-153035 PD-153035 M1 Oxidation - N-oxidation CYP3A ... [2]
MR012219 PD-153035 PD-153035 M2 Oxidation - 7-O-desmethylation CYP3A ... [2]
MR012220 PD-153035 PD-153035 M3 Oxidation - O-demethylation CYP3A ... [2]
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 800005268)
2 Metabolism of epidermal growth factor receptor targeting probe [11C]PD153035: impact on biodistribution and tumor uptake in rats

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