Compound Detail
CHEMBL52711
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Basic Information
| ChEMBL ID | CHEMBL52711 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CZORNVYUIHYIBZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
294.3
MW (Da)
1.87
ALogP
5
HBA
1
HBD
82.3
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lepidium sativum CHEMBL612381 | IC50 | 4.86 | 4.86 | 13700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lepidium sativum | IC50 | = | 13700.0 | nM | 4.86 | In vitro root inhibition activity using seedlings of Lepidium sativum | 1905760 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1905760 | 10.1021/jm00110a018 | Bacillus subtilis | 3 |
| 1905760 | 10.1021/jm00110a018 | Lepidium sativum | 2 |
Data from ChEMBL 36 via Core Engine