Details of the Drug

General Information of Drug (ID: DMHNDTW)

Drug Name

aminooxyacetic acid

Synonyms

Aminooxyacetic acid; (aminooxy)acetic acid; 2-(Aminooxy)acetic acid; AOAA; carboxymethoxylamine; 645-88-5; Carboxymethoxyamine; ACETIC ACID, (AMINOOXY)-; Aminooxyacetate; Aminooxy-acetic acid; (Carboxymethoxy)amine; (o-Carboxymethyl)hydroxylamine; aminoxyacetic acid; UNII-14I68GI3OQ; BRN 0878238; C2H5NO3; 14I68GI3OQ; U 7524; NQRKYASMKDDGHT-UHFFFAOYSA-N; u-7524; AOA; Aminooxyacetic acid hemihydrochloride; Carboxymethoxylamine hemihydrochloride; aminoxy-acetic acid; amino-oxyacetic acid; AOA hemihydrochloride; 2-aminooxyacetic acid; AOAA

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

91.07

Logarithm of the Partition Coefficient (xlogp)

-3.4

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C2H5NO3
IUPAC Name: 2-aminooxyacetic acid
Canonical SMILES: C(C(=O)O)ON
InChI: InChI=1S/C2H5NO3/c3-6-1-2(4)5/h1,3H2,(H,4,5)
InChIKey: NQRKYASMKDDGHT-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 286
ChEBI ID: CHEBI:40823
CAS Number: 645-88-5
DrugBank ID: DB02079
TTD ID: D01BTV

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
Cystathionine beta-synthase (CBS)	TTVZJ7G	CBS_HUMAN	Inhibitor	[2]
Cytoplasmic aspartate aminotransferase (GOT1)	TTU507L	AATC_HUMAN	Inhibitor	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5136).
2	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 1443).
3	Aspartate aminotransferase isotope exchange reactions: implications for glutamate/glutamine shuttle hypothesis. Am J Physiol Cell Physiol. 2002 Jun;282(6):C1404-13.