Details of the Drug

General Information of Drug (ID: DMYX7NI)

Drug Name

Acetohydroxamic Acid

Synonyms

AHA; Acethydroxamsaeure; Acethydroxamsaure; Acetohydroxamate; HAE; Lithostat; Acethydroxamic acid; Acethydroxamsaeure [German]; Acetohydroximic acid; Acetyl hydroxyamino; Acetylhydroxamic acid; Acide acetohydroxamique; Acide acetohydroxamique [French]; Acido acetohidroxamico; Acido acetohidroxamico [Spanish]; Acidum acetohydroxamicum; Acidum acetohydroxamicum [Latin]; Cetohyroxamic acid; Methylhydroxamic acid; SJX HLdmMAH; AHA (TN); Acetic acid, oxime; Acetohydroxamic acid [USAN:INN]; Lithostat (TN); N-Acetyl hydroxyacetamide; N-Acetylhydroxylamine; N-Hydroxyacetamide; N-hydroxyacetimidic acid; N-hydroxyethanimidic acid; S14-0751; Acetohydroxamic acid (USP/INN); Acetamide, N-hydroxy-(9CI)

Indication

Disease Entry	ICD 11	Status	REF
Urinary tract infection	GC08	Approved	[1]
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Therapeutic Class

Antiinfective Agents

Affected Organisms

Enteric bacteria and other eubacteria

ATC Code

G04BX03: Acetohydroxamic Acid

G04BX: Other urologicals

G04B: UROLOGICALS

G04: UROLOGICALS

G: GENITO URINARY SYSTEM AND SEX HORMONES

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

75.07

Logarithm of the Partition Coefficient (xlogp)

-1.6

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

ADMET Property

Bioavailability: 55% of drug becomes completely available to its intended biological destination(s) [2]
Half-life: The concentration or amount of drug in body reduced by one-half in 5 - 10 hours [3]

Chemical Identifiers

Formula: C2H5NO2
IUPAC Name: N-hydroxyacetamide
Canonical SMILES: CC(=O)NO
InChI: InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
InChIKey: RRUDCFGSUDOHDG-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 1990
ChEBI ID: CHEBI:27777
CAS Number: 546-88-3
UNII: 4RZ82L2GY5
DrugBank ID: DB00551
TTD ID: D0R9BG
ACDINA ID: D00805

Combinatorial Drugs (CBD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial Urease (Bact ureC)	TTAS2UO	URE1_KLEAE	Inhibitor	[4]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Acetylcholinesterase (ACHE)	OT2H8HG6	ACES_HUMAN	Gene/Protein Processing	[5]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Acetohydroxamic Acid (Comorbidity)

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Ocrelizumab	DMEZ2KH	Moderate	Additive immunosuppressive effects by the combination of Acetohydroxamic Acid and Ocrelizumab.	Multiple sclerosis [8A40]	[6]
Omacetaxine mepesuccinate	DMPU2WX	Moderate	Additive immunosuppressive effects by the combination of Acetohydroxamic Acid and Omacetaxine mepesuccinate.	Myeloproliferative neoplasm [2A20]	[7]
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Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG

DIG Name	DIG ID	PubChem CID	Functional Classification
Levomenthol	E00248	16666	Flavoring agent
Magnesium stearate	E00208	11177	lubricant
Silicon dioxide	E00670	Not Available	Anticaking agent; Opacifying agent; Viscosity-controlling agent
Cellulose microcrystalline	E00698	Not Available	Adsorbent; Suspending agent; Diluent
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Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Acetohydroxamic Acid 250mg tablet	250mg	Tablet	Oral

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References

1	FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (NDA) 018749.
2	Critical Evaluation of Human Oral Bioavailability for Pharmaceutical Drugs by Using Various Cheminformatics Approaches
3	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
4	Enzymatic, immunological and phylogenetic characterization of Brucella suis urease. BMC Microbiol. 2008 Jul 19;8:121.
5	New bispyridinium oximes: in vitro and in vivo evaluation of their biological efficiency in soman and tabun poisoning. Chem Biol Interact. 2008 Sep 25;175(1-3):413-6.
6	Product Information. Ocrevus (ocrelizumab). Genentech, South San Francisco, CA.
7	Product Information. Synribo (omacetaxine). Teva Pharmaceuticals USA, North Wales, PA.