Details of the Drug

General Information of Drug (ID: DMXM7JR)

Drug Name
daminozide
Synonyms DMASA; SADH; B 995; Alar; Kylar; B-NINE
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 160.17
Logarithm of the Partition Coefficient (xlogp) -3.1
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C6H12N2O3
IUPAC Name
4-(2,2-dimethylhydrazinyl)-4-oxobutanoic acid
Canonical SMILES
CN(C)NC(=O)CCC(=O)O
InChI
InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
InChIKey
NOQGZXFMHARMLW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
15331
ChEBI ID
CHEBI:4312
CAS Number
1596-84-5
TTD ID
D0B2WZ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Histone lysine demethylase PHF8 (PHF8) TT81PFE PHF8_HUMAN Inhibitor [1]
Lysine-specific demethylase 2A (KDM2A) TT8XTY2 KDM2A_HUMAN Inhibitor [1]
Lysine-specific demethylase 7A (KDM7A) TT0NYMP KDM7A_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Plant growth regulator daminozide is a selective inhibitor of human KDM2/7 histone demethylases. J Med Chem. 2012 Jul 26;55(14):6639-43.