Compound Detail
CHEMBL431375
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Basic Information
| ChEMBL ID | CHEMBL431375 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKLHKYCJGXMEDJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
296.4
MW (Da)
2.29
ALogP
6
HBA
1
HBD
58.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.33 | 5.33 | 4677.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4700.0 | nM | 5.33 | Compound was tested for anti-rhinovirus type 1B activity in a plaque inhibition ... | 2535875 |
| Unchecked | IC50 | = | 4677.35 | nM | 5.33 | Compound was tested for anti-rhinovirus type 1B activity in a plaque inhibition ... | 2535875 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2535875 | 10.1021/jm00121a039 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine