Compound Detail
CHEMBL1443537
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Basic Information
| ChEMBL ID | CHEMBL1443537 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKHKAGOXFDDDIY-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
245.3
MW (Da)
2.56
ALogP
3
HBA
1
HBD
51.5
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.06
IC50 1 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA repair nuclease/redox regulator APEX1 CHEMBL5619 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Nuclear receptor subfamily 4immunitygroup A member 1 CHEMBL1293229 | EC50 | 5.06 | 5.06 | 8750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA repair nuclease/redox regulator APEX1 | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of N-terminal hexa-His tagged human APE1 expressed in Escherichia col... | 28161249 |
| Nuclear receptor subfamily 4immunitygroup A member 1 | EC50 | = | 8750.0 | nM | 5.06 | PUBCHEM_BIOASSAY: Fluorescence Polarization Dose Response Assay for TR3-Based Bc... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28161249 | 10.1016/j.bmc.2017.01.028 | DNA repair nuclease/redox regulator APEX1 | 1 |
Data from ChEMBL 36 via Core Engine