Details of the Drug

General Information of Drug (ID: DMUVCRQ)

Drug Name
Hydroxyaminovaline
Synonyms
HYDROXYAMINOVALINE; (2R)-2-amino-N-hydroxy-3-methylbutanamide; 88244-32-0; HAV; n-hydroxy-d-valinamide; AC1L9GKY; SCHEMBL2512211; CTK3B5308; DTXSID10332162; ZINC3997609; AKOS006348422; DB02697; (R)-2-Amino-N-hydroxy-3-methylbutanamide; FT-0772977; Butanamide, 2-amino-N-hydroxy-3-methyl-, (2R)-
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) 132.16
Logarithm of the Partition Coefficient (xlogp) -0.5
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C5H12N2O2
IUPAC Name
(2R)-2-amino-N-hydroxy-3-methylbutanamide
Canonical SMILES
CC(C)[C@H](C(=O)NO)N
InChI
InChI=1S/C5H12N2O2/c1-3(2)4(6)5(8)7-9/h3-4,9H,6H2,1-2H3,(H,7,8)/t4-/m1/s1
InChIKey
USSBBYRBOWZYSB-SCSAIBSYSA-N
Cross-matching ID
PubChem CID
444599
CAS Number
88244-32-0
DrugBank ID
DB02697
TTD ID
D05HOS
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Matrix metalloproteinase-13 (MMP-13) TTHY57M MMP13_HUMAN Inhibitor [1]
Matrix metalloproteinase-3 (MMP-3) TTUZ2L5 MMP3_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.