Compound Detail
CHEMBL4092222
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Basic Information
| ChEMBL ID | CHEMBL4092222 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTHNLKXLWOXOQK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
98.1
MW (Da)
1.54
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tetrahymena pyriformis CHEMBL612891 | EC50 | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tetrahymena pyriformis | EC50 | = | 22000.0 | nM | 4.66 | Toxicity in Tetrahymena pyriformis assessed as growth inhibition after 48 hrs | 27996267 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27996267 | 10.1021/acs.jmedchem.6b00788 | No relevant target | 1 |
| 27996267 | 10.1021/acs.jmedchem.6b00788 | Tetrahymena pyriformis | 1 |
Data from ChEMBL 36 via Core Engine