Details of the Drug

General Information of Drug (ID: DMZIXU9)

Drug Name
Dihydralazine
Synonyms
Dihydralazine sulfate; 7327-87-9; Dihydralazine sulphate; 1,4-Dihydrazinophthalazine sulfate; Depressan; Hydralazine sulfate; Ophthazin Sulfate; UNII-1C2B1W91NK; CCRIS 5386; Sulfate de dihydralazine [French]; 1,4-Dihydrazinylphthalazine Sulfate; EINECS 230-808-0; 1C2B1W91NK; Phthalazine, 1,4-dihydrazino-, sulfate (1:1); 1,4-Dihydrazinophthalazine hydrogen sulfate; W-104459; Sulfate de dihydralazine; 1,4-dihydrazinophthalazine sulfate(1:1); Dihydralazinsulfat; C8H10N6.H2O4S; Nepresol (TN); Dihydralazine Sulfate,(S); AC1Q6XE2
Indication
Disease Entry ICD 11 Status REF
Hypertension BA00-BA04 Approved [1]
ATC Code
C02DB01: Dihydralazine
C02DB: Hydrazinophthalazine derivatives
C02D: ARTERIOLAR SMOOTH MUSCLE, AGENTS ACTING ON
C02: ANTIHYPERTENSIVES
C: CARDIOVASCULAR SYSTEM
C02DB01: Dihydralazine
C02DB: Hydrazinophthalazine derivatives
C02D: ARTERIOLAR SMOOTH MUSCLE, AGENTS ACTING ON
C02: ANTIHYPERTENSIVES
C: CARDIOVASCULAR SYSTEM
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 190.21
Logarithm of the Partition Coefficient (xlogp) 0.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 6
ADMET Property
BDDCS Class
Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 1: high solubility and high permeability [2]
Adverse Drug Reaction (ADR)
ADR Term Variation Related DOT DOT ID REF
Hepatotoxicity Not Available CYP1A2 OTLLBX48 [3]
Chemical Identifiers
Formula
C8H10N6
IUPAC Name
(4-hydrazinylphthalazin-1-yl)hydrazine
Canonical SMILES
C1=CC=C2C(=C1)C(=NN=C2NN)NN
InChI
InChI=1S/C8H10N6/c9-11-7-5-3-1-2-4-6(5)8(12-10)14-13-7/h1-4H,9-10H2,(H,11,13)(H,12,14)
InChIKey
VQKLRVZQQYVIJW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10230
ChEBI ID
CHEBI:134841
CAS Number
484-23-1
UNII
PCU411F5L6
DrugBank ID
DB12945
TTD ID
D0QS1U
INTEDE ID
DR0499
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4) DE4LYSA CP3A4_HUMAN Substrate [4]
Cytochrome P450 1A2 (CYP1A2) DEJGDUW CP1A2_HUMAN Substrate [5]
RNA cytidine acetyltransferase (hALP) DEZV4AP NAT10_HUMAN Substrate [6]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Cytochrome P450 1A2 (CYP1A2) OTLLBX48 CP1A2_HUMAN Drug Response [3]
Renin (REN) OT52GZR2 RENI_HUMAN Gene/Protein Processing [7]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 BDDCS predictions, self-correcting aspects of BDDCS assignments, BDDCS assignment corrections, and classification for more than 175 additional drugs
3 ADReCS-Target: target profiles for aiding drug safety research and application. Nucleic Acids Res. 2018 Jan 4;46(D1):D911-D917. doi: 10.1093/nar/gkx899.
4 Mechanism-based inhibition of cytochrome P450 3A4 by therapeutic drugs. Clin Pharmacokinet. 2005;44(3):279-304.
5 Mechanism-based inactivation of cytochrome P450s 1A2 and 3A4 by dihydralazine in human liver microsomes. Chem Res Toxicol. 1999 Oct;12(10):1028-32.
6 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.
7 Additive effects of dihydralazine during enflurane or isoflurane hypotensive anaesthesia for spinal fusion. Can J Anaesth. 1988 May;35(3 ( Pt 1)):242-8. doi: 10.1007/BF03010617.