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

General Information of Drug (ID: DR1253)
Drug Name
Pentifylline
Synonyms
Pentifilina [INN-Spanish]; Pentifyllin; Pentifylline; Pentifylline [INN:BAN:DCF]; Pentifyllinum [INN-Latin]; Cosadon; Cosaldon; Hexyltheobromine; MBM1C4K26S; SK 7 (Pharmaceutical); Theobromine, 1-hexyl-; 1-Hexyl-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione; 1-Hexyl-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione; 1-Hexyl-3,7-dimethylxanthine; 1-Hexyltheobromine; 1-n-hexyltheobromine; 1028-33-7; 3,7-Dimethyl-1-hexyl-1H,3H-purin-2,6-dione; BRN 0270632; C13H20N4O2; EINECS 213-842-0; MFCD00041424; SK 7; UNII-MBM1C4K26S
Indication Cerebrovascular dementia [ICD11: 6D81] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 264.32 Topological Polar Surface Area 58.4
Heavy Atom Count 19 Rotatable Bond Count 5
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
70569
ChEBI ID
CHEBI:135091
CAS Number
1028-33-7
Formula
C13H20N4O2
Canonical SMILES
CCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C
InChI
1S/C13H20N4O2/c1-4-5-6-7-8-17-12(18)10-11(14-9-15(10)2)16(3)13(17)19/h9H,4-8H2,1-3H3
InChIKey
MRWQRJMESRRJJB-UHFFFAOYSA-N
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
[2]
References
1 Pentoxifylline, propentofylline and pentifylline for acute ischaemic stroke. Cochrane Database Syst Rev. 2004;(3):CD000162.
2 PharmGKB summary: caffeine pathway. Pharmacogenet Genomics. 2012 May;22(5):389-95.

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