Compound Detail
CHEMBL1822267
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Basic Information
| ChEMBL ID | CHEMBL1822267 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMRWGQUEHBOYQC-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
369.8
MW (Da)
3.99
ALogP
3
HBA
0
HBD
36.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Candida albicans CHEMBL366 | IC50 | 5.44 | 5.2133 | 3600.0 | 3 |
| NIH3T3 CHEMBL614822 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Candida albicans | IC50 | = | 3600.0 | nM | 5.44 | Growth inhibition of Candida albicans isolate CaCi-2 assessed as relative fungal... | 21802942 |
| Candida albicans | IC50 | = | 4200.0 | nM | 5.38 | Growth inhibition of Candida albicans isolate CaCi-8 assessed as relative fungal... | 21802942 |
| Candida albicans | IC50 | = | 15000.0 | nM | 4.82 | Antifungal activity against Candida albicans isolate CaCi-2 after 48 hrs by Alma... | 21802942 |
| NIH3T3 | IC50 | = | 21000.0 | nM | 4.68 | Cytotoxicity in mouse NIH/3T3 cells after 48 hrs by Almar blue fluorimetry | 21802942 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21802942 | 10.1016/j.bmcl.2011.06.105 | Candida albicans | 3 |
| 21802942 | 10.1016/j.bmcl.2011.06.105 | NIH3T3 | 1 |
Data from ChEMBL 36 via Core Engine