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Compound Detail

CHEMBL1099

DIMETHADIONE
🧪 Phase II
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🧪 Phase II
CC1(C)OC(=O)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1099
Name DIMETHADIONE
Phase Phase II
Structure Type MOL
InChI Key JYJFNDQBESEHJQ-UHFFFAOYSA-N

Known Names

AC 1198 AC-1198 BAX 1400Z BAX-1400Z BAY-1400Z Dimetadiona Dimethadione DMO Eupractone Nortrimethadione NSC-30152
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
11
Publications
11
Known Names

Molecular Properties

129.1
MW (Da)
0.03
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Year 1965

Extended Properties

Molecular Formula C5H7NO3
MW 129.11
Aromatic Rings 0
Heavy Atoms 9
NP-Likeness 0.61

Literature References

PubMed DOI Target Context # Activities
28817930 10.1021/acs.jmedchem.7b00606 Carbonic anhydrase 2 5
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
12873507 10.1016/s0960-894x(03)00535-3 Unchecked 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
22961681 10.1124/dmd.112.047068 Bile salt export pump 1
- 10.1101/2020.04.03.023846 SARS-CoV-2 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 1

Data from ChEMBL 36 via Core Engine