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

General Information of Drug (ID: DR1362)
Drug Name
HWA-285
Synonyms
Albert-285; Hextol; Karsivan; Propentofylina [INN-Spanish]; Propentofyllinum [INN-Latin]; Propentophylline; RBQOQRRFDPXAGN-UHFFFAOYSA-N; propentofylline; 1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-1-(5-oxohexyl)-7-propyl-; 3,7-Dihydro-3-methyl-1-(5-oxohexyl)-7-propyl-1H-purine-2,6-dione; 3-Methyl-1-(5-oxohexyl)-7-propylxanthine; 3-methyl-1-(5-oxohexyl)-7-propyl-1H-purine-2,6(3H,7H)-dione; 55242-55-2; 5RTA398U4H; BRN 1156290; DSSTox_CID_25189; DSSTox_RID_80736; HOE-285; HWA 285; HWA-285; NCGC00015861-04; UNII-5RTA398U4H
Indication Cerebrovascular dementia [ICD11: 6D81] Phase 1 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 306.36 Topological Polar Surface Area 75.5
Heavy Atom Count 22 Rotatable Bond Count 7
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
4938
PubChem SID
5371489 ; 7848693 ; 8153045 ; 11111693 ; 11373106 ; 11491649 ; 12013034 ; 14776375 ; 17405573 ; 24278191 ; 26753633 ; 29224016 ; 47885568 ; 48035305 ; 49645640 ; 50028010 ; 50106916 ; 50106917 ; 50122611 ; 53778121 ; 57322539 ; 69520080 ; 80686886 ; 85231201 ; 85788518 ; 90340930 ; 91011547 ; 92303187 ; 103737364 ; 103810925 ; 104171224 ; 104307833 ; 117600212 ; 117695707 ; 117695717 ; 121361975 ; 124750169 ; 124787974 ; 124881244 ; 124881245 ; 124881246 ; 125823608 ; 126686492 ; 129106193 ; 134223517 ; 135002918 ; 137212377 ; 143051080 ; 144074060 ; 144203798
ChEBI ID
CHEBI:32061
CAS Number
55242-55-2
TTD Drug ID
D0UU9Y
Formula
C15H22N4O3
Canonical SMILES
CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(=O)C
InChI
1S/C15H22N4O3/c1-4-8-18-10-16-13-12(18)14(21)19(15(22)17(13)3)9-6-5-7-11(2)20/h10H,4-9H2,1-3H3
InChIKey
RBQOQRRFDPXAGN-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
A 72 0287 DM003478
9796631
Oxidation - Hydrolyzationn 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR003930 HWA-285 A 72 0287 Oxidation - Hydrolyzationn Unclear [3]
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 Clinical trials in dementia with propentofylline. Ann N Y Acad Sci. 1997 Sep 26;826:307-16.
2 PharmGKB summary: caffeine pathway. Pharmacogenet Genomics. 2012 May;22(5):389-95.
3 Propentofylline and a hydroxy metabolite augment A2-receptor mediated cyclic AMP accumulation and attenuate A1-receptor mediated inhibition of acetylcholine release in the rat hippocampus

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