Details of the Drug

General Information of Drug (ID: DM5HWZY)

Drug Name
Hydroxyalanine
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 105.09
Logarithm of the Partition Coefficient (xlogp) -3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C3H7NO3
IUPAC Name
(2S)-2-(hydroxyamino)propanoic acid
Canonical SMILES
C[C@@H](C(=O)O)NO
InChI
InChI=1S/C3H7NO3/c1-2(4-7)3(5)6/h2,4,7H,1H3,(H,5,6)/t2-/m0/s1
InChIKey
AWOUERYHOVSIAI-REOHCLBHSA-N
Cross-matching ID
PubChem CID
18605011
CAS Number
21209-71-2
TTD ID
D0BI4H

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
S-adenosylmethionine decarboxylase proenzyme (AMD1) TTBFROQ DCAM_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
S-adenosylmethionine decarboxylase proenzyme (AMD1) DTT AMD1 4.41E-05 0.37 0.61
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41.