Compound Detail
CHEMBL281788
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Basic Information
| ChEMBL ID | CHEMBL281788 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGMKECHJXDTTCK-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
263.1
MW (Da)
2.88
ALogP
3
HBA
0
HBD
46.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 5.82 | 4.895 | 1500.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 1500.0 | nM | 5.82 | Evaluated for growth inhibition of UV-4 cells under aerobic or hypoxic condition... | 2296009 |
| ADMET | IC50 | = | 13600.0 | nM | 4.87 | Evaluated for inhibitory concentration against UV-4 cells under aerobic conditio... | 2296009 |
| ADMET | IC50 | = | 13600.0 | nM | 4.87 | Evaluated for growth inhibition of UV-4 cells under aerobic conditions | 2296009 |
| ADMET | IC50 | = | 96000.0 | nM | 4.02 | Evaluated for inhibitory concentration against UV-4 cells under aerobic conditio... | 2296009 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2296009 | 10.1021/jm00163a019 | ADMET | 7 |
| 2296009 | 10.1021/jm00163a019 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine