Compound Detail
CHEMBL1441646
CHLOROTHYMOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1441646 |
| Name | CHLOROTHYMOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFZXVMNBUMVKLN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
6
Known Names
Molecular Properties
184.7
MW (Da)
3.48
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 2 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.85 | 4.715 | 14071.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 14071.8 | nM | 4.85 | PubChem BioAssay. GLP1 secretion from STC-1 cells-IC50. (Class of assay: confi... | - |
| Unchecked | IC50 | = | 26466.1 | nM | 4.58 | PubChem BioAssay. GLP1 secretion from NCI-H716 cells-IC50. (Class of assay: co... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-013-0809-8 | Candida albicans | 6 |
| 38604097 | 10.1016/j.ejmech.2024.116381 | Staphylococcus aureus | 3 |
| - | 10.1007/s00044-013-0809-8 | Staphylococcus epidermidis | 2 |
| - | 10.1007/s00044-013-0809-8 | Staphylococcus aureus | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine