Compound Detail
CHEMBL1330558
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Basic Information
| ChEMBL ID | CHEMBL1330558 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVBQGQLGXJDKLZ-UHFFFAOYSA-N |
7
Targets
24
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
190.2
MW (Da)
1.85
ALogP
4
HBA
1
HBD
76.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 14 meas. best 5.57
EC50 10 meas. best 6.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.15 | 5.168 | 706.0 | 5 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 6.12 | 5.2533 | 763.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 5.57 | 4.6991 | 2710.0 | 11 |
| Protein RecA CHEMBL1741171 | EC50 | 5.34 | 5.34 | 4600.0 | 1 |
| Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194 | IC50 | 5.11 | 5.11 | 7750.0 | 1 |
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | EC50 | 5.1 | 5.1 | 7941.0 | 1 |
| Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180 | IC50 | 4.94 | 4.94 | 11400.0 | 1 |
| Exodeoxyribonuclease V CHEMBL2095232 | IC50 | 4.21 | 4.21 | 62272.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34865870 | 10.1016/j.ejmech.2021.113975 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine