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
CHEMBL2164243
CAS Number
1596-84-5
TTD ID
D0B2WZ
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
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
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.