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

General Information of Drug (ID: DR0499)
Drug Name
Dihydralazine
Synonyms
Depressan; Dihydralazine sulfate; Dihydralazine sulphate; Dihydralazinsulfat; Hydralazine sulfate; Nepresol (TN); Ophthazin Sulfate; Sulfate de dihydralazine; Sulfate de dihydralazine [French]; W-104459; dihydralazine-sulphate; 1,4-Dihydrazinophthalazine hydrogen sulfate; 1,4-Dihydrazinophthalazine sulfate; 1,4-Dihydrazinylphthalazine Sulfate; 1,4-dihydrazinophthalazine sulfate(1:1); 1C2B1W91NK; 7327-87-9; C8H10N6.H2O4S; CCRIS 5386; EINECS 230-808-0; Phthalazine, 1,4-dihydrazino-, sulfate (1:1); UNII-1C2B1W91NK
Indication Essential hypertension [ICD11: BA00] Phase 4 [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 288.29 Topological Polar Surface Area 185
Heavy Atom Count 19 Rotatable Bond Count 2
Hydrogen Bond Donor Count 6 Hydrogen Bond Acceptor Count 10
Cross-matching ID
PubChem CID
81764
CAS Number
7327-87-9
TTD Drug ID
D0QS1U
Formula
C8H12N6O4S
Canonical SMILES
C1=CC=C2C(=C1)C(=NN=C2NN)NN.OS(=O)(=O)O
InChI
1S/C8H10N6.H2O4S/c9-11-7-5-3-1-2-4-6(5)8(12-10)14-13-7;1-5(2,3)4/h1-4H,9-10H2,(H,11,13)(H,12,14);(H2,1,2,3,4)
InChIKey
BWHAMWGGORIDBK-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
Unclear DM009999 N. A. Unclear 1 [2]
Unclear DM009999 N. A. Unclear 1 [3]
Unclear DM009999 N. A. Unclear 1 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007114 Dihydralazine Unclear Unclear NAT [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
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[3]
RNA cytidine acetyltransferase (hALP) DME0007 Homo sapiens
NAT10_HUMAN
2.3.1.5
[4]
References
1 ClinicalTrials.gov (NCT00311974) The Effect of Dihydralazine on Kidney Function and Hormones in Healthy Individuals.
2 Mechanism-based inactivation of cytochrome P450s 1A2 and 3A4 by dihydralazine in human liver microsomes. Chem Res Toxicol. 1999 Oct;12(10):1028-32.
3 Mechanism-based inhibition of cytochrome P450 3A4 by therapeutic drugs. Clin Pharmacokinet. 2005;44(3):279-304.
4 The influence of the acetylator phenotype for the clinical use of dihydralazine. Int J Clin Pharmacol Ther Toxicol. 1985 Apr;23 Suppl 1:S74-8.

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