Details of the Drug

General Information of Drug (ID: DMVG3K1)

Drug Name
APA
Synonyms
1-Aminooxy-3-aminopropane; 3-aminooxy-1-aminopropane; O-(3-aminopropyl)hydroxylamine; 98532-00-4; CHEMBL281021; 1-Propanamine, 3-(aminooxy)-; 3-Aminooxy-1-propanamine; XAP; 3-Aminooxypropylamine; 3-(aminooxy)propan-1-amine; GTPL5139; AC1L22F5; CTK3I7322; DTXSID20243634; BDBM50005719; AKOS006348478; (APA)O-(3-Amino-propyl)-hydroxylamine; O-(3-Aminopropyl)hydroxylamine,; 1-aminooxy-3-aminopropane
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): 0 Molecular Weight (mw) 90.12
Logarithm of the Partition Coefficient (xlogp) -1.3
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C3H10N2O
IUPAC Name
O-(3-aminopropyl)hydroxylamine
Canonical SMILES
C(CN)CON
InChI
InChI=1S/C3H10N2O/c4-2-1-3-6-5/h1-5H2
InChIKey
VSZFWDPIWSPZON-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
65020
CAS Number
98532-00-4
TTD ID
D01IGU

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Ornithine decarboxylase (ODC1) TTUMGNO DCOR_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Ornithine decarboxylase (ODC1) DTT ODC1 5.20E-35 1.58 2.43
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression 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: 5139).
2 2-substituted 3-(aminooxy)propanamines as inhibitors of ornithine decarboxylase: synthesis and biological activity. J Med Chem. 1992 Apr 17;35(8):1339-44.