General Information of Drug (ID: DMPFH15)

Drug Name
3-(Aminooxy)propan-1-amine hydrochloride
Synonyms CHEMBL1209776
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 126.58
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 3
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 3
Chemical Identifiers
Formula
C3H11ClN2O
IUPAC Name
O-(3-aminopropyl)hydroxylamine;hydrochloride
Canonical SMILES
C(CN)CON.Cl
InChI
InChI=1S/C3H10N2O.ClH/c4-2-1-3-6-5;/h1-5H2;1H
InChIKey
KJXCRFUWQRHVMV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
49862725
TTD ID
D0K6WI

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.