Compound Detail
CHEMBL4782247
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CCOC(=O)c1ccc(-n2nc(/C=C/c3ccc(O)cc3)cc2/C=C/c2ccc(O)cc2)cc1F
Basic Information
| ChEMBL ID | CHEMBL4782247 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJBUGPXHAJAARC-LQIBPGRFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
470.5
MW (Da)
5.94
ALogP
6
HBA
2
HBD
84.6
PSA (Ų)
0.33
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.99 | 4.99 | 10300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 10300.0 | nM | 4.99 | Cytotoxicity against human K562/4 cells assessed as reduction in cell viability ... | 32403017 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32403017 | 10.1016/j.ejmech.2020.112331 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine