daminozide

Ligand id: 7025

Name: daminozide

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 69.64
Molecular weight 160.08
XLogP -1.14
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-(N',N'-dimethylhydrazinecarbonyl)propanoic acid
Synonyms
B 995 | DMASA | SADH
Database Links
CAS Registry No. 1596-84-5
ChEMBL Ligand CHEMBL2164243
PubChem CID 15331
RCSB PDB Ligand DZA
Search Google for chemical match using the InChIKey NOQGZXFMHARMLW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NOQGZXFMHARMLW
Search UniChem for chemical match using the InChIKey NOQGZXFMHARMLW-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone NOQGZXFMHARMLW
SynPHARM 79346 (in complex with PHD finger protein 8)
Wikipedia Daminozide
Comments
Daminozide was used as a plant growth regulator but was withdrawn from use following public concern over risks to health posed by long term exposure, although the evidence of the level of risk is controversial. Investigations are now under way to assess the utility of daminozide as a histone demethylase inhibitor [1].