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]
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) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
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
CHEMBL40823
CAS Number
645-88-5
UNII
14I68GI3OQ
DrugBank ID
DB02079
TTD ID
D01BTV
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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.