Compound Detail
CHEMBL1870764
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Basic Information
| ChEMBL ID | CHEMBL1870764 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BIUCOFQROHIAEO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
206.2
MW (Da)
1.77
ALogP
3
HBA
2
HBD
96.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA repair nuclease/redox regulator APEX1 CHEMBL5619 | IC50 | 5.52 | 5.515 | 3000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA repair nuclease/redox regulator APEX1 | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of human APE1 after 25 mins by fluorescence assay | 25280182 |
| DNA repair nuclease/redox regulator APEX1 | IC50 | = | 3060.0 | nM | 5.51 | Inhibition of APE1 in human HeLa cells assessed as reduction in AP site cleavage... | 28161249 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27529560 | 10.1021/acs.jmedchem.6b00794 | Ribonuclease T | 2 |
| 27529560 | 10.1021/acs.jmedchem.6b00794 | 3'-5' exonuclease crn-4 | 2 |
| 27529560 | 10.1021/acs.jmedchem.6b00794 | Unchecked | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 22455312 | 10.1021/jm201537d | DNA repair nuclease/redox regulator APEX1 | 1 |
| 25280182 | 10.1021/jm500865u | DNA repair nuclease/redox regulator APEX1 | 1 |
| 28161249 | 10.1016/j.bmc.2017.01.028 | DNA repair nuclease/redox regulator APEX1 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine