Compound Detail
CHEMBL179276
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Basic Information
| ChEMBL ID | CHEMBL179276 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXHKSKYNJHBJDZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
287.3
MW (Da)
4.20
ALogP
3
HBA
1
HBD
56.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit CHEMBL3142 | IC50 | 5.11 | 5.11 | 7700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit | IC50 | = | 7700.0 | nM | 5.11 | Inhibition of DNA dependent protein kinase isolated from HeLa cells | 15658870 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15658870 | 10.1021/jm049526a | DNA-dependent protein kinase catalytic subunit | 1 |
| 30553624 | 10.1016/j.bmc.2018.11.045 | Cytochrome P450 1B1 | 1 |
| 30553624 | 10.1016/j.bmc.2018.11.045 | Cytochrome P450 1A1 | 1 |
| 30553624 | 10.1016/j.bmc.2018.11.045 | Cytochrome P450 1A2 | 1 |
Data from ChEMBL 36 via Core Engine