Compound Detail
CHEMBL365809
BUTANEDIONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL365809 |
| Name | BUTANEDIONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QSJXEFYPDANLFS-UHFFFAOYSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
86.1
MW (Da)
0.16
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15828829 | 10.1021/jm049011j | Liver carboxylesterase 1 | 2 |
| 21733699 | 10.1016/j.bmc.2011.06.012 | Liver carboxylesterase 1 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 15828829 | 10.1021/jm049011j | Cocaine esterase | 1 |
| 15828829 | 10.1021/jm049011j | Acetylcholinesterase | 1 |
| 15828829 | 10.1021/jm049011j | Cholinesterase | 1 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
| 21733699 | 10.1016/j.bmc.2011.06.012 | Cocaine esterase | 1 |
| 21733699 | 10.1016/j.bmc.2011.06.012 | Acetylcholinesterase | 1 |
| 21733699 | 10.1016/j.bmc.2011.06.012 | Cholinesterase | 1 |
| - | 10.1584/jpestics.23.113 | Lycopene beta-cyclase | 1 |
| 30195238 | 10.1016/j.ejmech.2018.09.001 | ATP-citrate synthase | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine