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]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 190.21
Topological Polar Surface Area (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]
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

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 [3]
Cytochrome P450 1A2 (CYP1A2) DEJGDUW CP1A2_HUMAN Substrate [4]
RNA cytidine acetyltransferase (hALP) DEZV4AP NAT10_HUMAN Substrate [5]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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2 BDDCS predictions, self-correcting aspects of BDDCS assignments, BDDCS assignment corrections, and classification for more than 175 additional drugs
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