Compound Detail
CHEMBL4205402
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Basic Information
| ChEMBL ID | CHEMBL4205402 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GOBPKVITNWSXKL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
510.7
MW (Da)
3.24
ALogP
6
HBA
6
HBD
72.2
PSA (Ų)
0.22
QED
2
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA repair nuclease/redox regulator APEX1 CHEMBL5619 | IC50 | 7.24 | 7.24 | 57.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA repair nuclease/redox regulator APEX1 | IC50 | = | 57.0 | nM | 7.24 | Inhibition of human APE1 assessed as reduction in abasic sites DNA cleavage usin... | 28161249 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30942581 | 10.1021/acs.jmedchem.8b01978 | Unchecked | 7 |
| 28161249 | 10.1016/j.bmc.2017.01.028 | DNA repair nuclease/redox regulator APEX1 | 1 |
Data from ChEMBL 36 via Core Engine