Compound Detail
CHEMBL2289495
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Basic Information
| ChEMBL ID | CHEMBL2289495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQYOCGSVJFVKPE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
312.5
MW (Da)
4.08
ALogP
6
HBA
1
HBD
46.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 1-deoxy-D-xylulose 5-phosphate reductoisomerase, chloroplastic CHEMBL2285354 | IC50 | 4.23 | 4.23 | 59000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 1-deoxy-D-xylulose 5-phosphate reductoisomerase, chloroplastic | IC50 | = | 59000.0 | nM | 4.23 | Inhibition of Arabidopsis thaliana IspC expressed in Escherichia coli after 40 m... | 23471898 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23471898 | 10.1002/ps.3479 | Lemna minor | 2 |
| 23471898 | 10.1002/ps.3479 | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, chloroplastic | 1 |
Data from ChEMBL 36 via Core Engine