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]
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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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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]
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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
DrugBank ID: DB12945
TTD ID: D0QS1U
INTEDE ID: DR0499

Combinatorial Drugs (CBD)

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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]

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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.