Compound Detail
CHEMBL2289238
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Basic Information
| ChEMBL ID | CHEMBL2289238 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAFMSBOPZSULGF-UHFFFAOYSA-M |
| Parent Compound | CHEMBL3139726 |
| Active Moiety | CHEMBL3139726 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
343.1
MW (Da)
3.09
ALogP
5
HBA
1
HBD
82.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 290.0 | nM | 6.54 | Inhibition of Oryza sativa (rice) PDHc by spectrophotometric assay | 23398199 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23398199 | 10.1021/jf305153h | Unchecked | 1 |
| 23398199 | 10.1021/jf305153h | Pisum sativum | 1 |
| 23398199 | 10.1021/jf305153h | Brassica juncea | 1 |
| 23398199 | 10.1021/jf305153h | Oryza sativa | 1 |
| 23398199 | 10.1021/jf305153h | Echinochloa crus-galli | 1 |
| 23398199 | 10.1021/jf305153h | Amaranthus retroflexus | 1 |
Data from ChEMBL 36 via Core Engine