Compound Detail
CHEMBL578390
APX-3330 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL578390 |
| Name | APX-3330 |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | AALSSIXXBDPENJ-FYWRMAATSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
5
Known Names
1
Indications
1
Mechanisms
Molecular Properties
378.5
MW (Da)
4.11
ALogP
5
HBA
1
HBD
89.9
PSA (Ų)
0.31
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| DNA-(apurinic or apyrimidinic site) lyase inhibitor | INHIBITOR | DNA repair nuclease/redox regulator APEX1 | ✓ | ✓ |
Indications
Neoplasms
Activity Summary
IC50 3 meas. best 5.0
Kd 1 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA repair nuclease/redox regulator APEX1 CHEMBL5619 | Kd | 8.8 | 8.8 | 1.6 | 1 |
| DNA repair nuclease/redox regulator APEX1 CHEMBL5619 | IC50 | 5.0 | 5.0 | 10000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA repair nuclease/redox regulator APEX1 | Kd | = | 1.6 | nM | 8.8 | Binding affinity to APE1 (unknown origin) by SPR assay | 28161249 |
| DNA repair nuclease/redox regulator APEX1 | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of Ape1/ref-1 redox activity in presence of 0.02 mM DTT and human Hey... | 20067291 |
| DNA repair nuclease/redox regulator APEX1 | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of APE1 (unknown origin) assessed as inhibition of redox activity | 25280182 |
| DNA repair nuclease/redox regulator APEX1 | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of redox activity of full length N-terminal hexa-His SUMO-fused human... | 28161249 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28161249 | 10.1016/j.bmc.2017.01.028 | DNA repair nuclease/redox regulator APEX1 | 3 |
| 20067291 | 10.1021/jm9014857 | DNA repair nuclease/redox regulator APEX1 | 2 |
| 20067291 | 10.1021/jm9014857 | NON-PROTEIN TARGET | 1 |
| 25280182 | 10.1021/jm500865u | DNA repair nuclease/redox regulator APEX1 | 1 |
Data from ChEMBL 36 via Core Engine