Compound Detail
CHEMBL498408
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Basic Information
| ChEMBL ID | CHEMBL498408 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAPCZZRWCXTUAD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
323.3
MW (Da)
4.05
ALogP
3
HBA
1
HBD
54.9
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Chlorella vulgaris CHEMBL613342 | IC50 | 4.48 | 4.48 | 32900.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.26 | 4.26 | 55000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chlorella vulgaris | IC50 | = | 32900.0 | nM | 4.48 | Antialagal activity against Chlorella vulgaris Beji assessed as reduction in chl... | 17870211 |
| Unchecked | IC50 | = | 55000.0 | nM | 4.26 | Inhibition of photosynthetic electron transport in Spinacia oleracea chloroplast... | 17870211 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17870211 | 10.1016/j.ejmech.2007.07.013 | Trichophyton mentagrophytes | 2 |
| 17870211 | 10.1016/j.ejmech.2007.07.013 | Chlorella vulgaris | 1 |
| 17870211 | 10.1016/j.ejmech.2007.07.013 | Unchecked | 1 |
| 17870211 | 10.1016/j.ejmech.2007.07.013 | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine