Compound Detail
CHEMBL292182
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Basic Information
| ChEMBL ID | CHEMBL292182 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZELOUZWBTZRZCJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
281.3
MW (Da)
1.34
ALogP
6
HBA
1
HBD
95.2
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lepidium sativum CHEMBL612381 | IC50 | 5.04 | 5.04 | 9180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lepidium sativum | IC50 | = | 9180.0 | nM | 5.04 | 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 |
| 3656364 | 10.1021/jm00393a040 | Staphylococcus aureus | 1 |
| 3656364 | 10.1021/jm00393a040 | Escherichia coli | 1 |
| 3656364 | 10.1021/jm00393a040 | Salmonella enterica subsp. enterica serovar Gallinarum | 1 |
| 3656364 | 10.1021/jm00393a040 | Klebsiella pneumoniae | 1 |
| 3656364 | 10.1021/jm00393a040 | Mycolicibacterium smegmatis | 1 |
| 3656364 | 10.1021/jm00393a040 | Candida albicans | 1 |
| 3656364 | 10.1021/jm00393a040 | Pseudomonas aeruginosa | 1 |
| 3656364 | 10.1021/jm00393a040 | CCRF-CEM | 1 |
| 3656364 | 10.1021/jm00393a040 | L1210 | 1 |
| 3656364 | 10.1021/jm00393a040 | B16 | 1 |
| 3656364 | 10.1021/jm00393a040 | P388 | 1 |
| 3656364 | 10.1021/jm00393a040 | Epidermoid carcinoma cell line | 1 |
Data from ChEMBL 36 via Core Engine