Details of the Drug

General Information of Drug (ID: DMOAQC4)

Drug Name
1-Amino-3-(aminoxy)-2-propanol Dihydrochloride
Synonyms CHEMBL1209777
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 142.58
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 3
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 4
Chemical Identifiers
Formula
C3H11ClN2O2
IUPAC Name
1-amino-3-aminooxypropan-2-ol;hydrochloride
Canonical SMILES
C(C(CON)O)N.Cl
InChI
InChI=1S/C3H10N2O2.ClH/c4-1-3(6)2-7-5;/h3,6H,1-2,4-5H2;1H
InChIKey
CDNYZQKHCXXBPH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
49862726
TTD ID
D0XR2J

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 [1]
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 Selective delivery of 2-hydroxy APA to Trypanosoma brucei using the melamine motif. Bioorg Med Chem Lett. 2010 Aug 1;20(15):4364-6.