Compound Detail
CHEMBL3127263
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O=[N+]([O-])c1ccc2c(c1)N(Cc1cc(Br)ccc1O)C(c1cc(Br)ccc1O)N2Cc1cc(Br)ccc1O
Basic Information
| ChEMBL ID | CHEMBL3127263 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRJFKAQEUALKDH-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
706.2
MW (Da)
7.72
ALogP
7
HBA
3
HBD
110.3
PSA (Ų)
0.14
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Presequence protease, mitochondrial CHEMBL3124731 | EC50 | 7.24 | 6.62 | 57.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Presequence protease, mitochondrial | EC50 | = | 57.0 | nM | 7.24 | Agonist activity at human PreP assessed as degradation of fluorogenic substrate ... | 24602793 |
| Presequence protease, mitochondrial | EC50 | = | 402.0 | nM | 6.4 | Agonist activity at human PreP assessed as degradation of biotin-labeled amyloid... | 24602793 |
| Presequence protease, mitochondrial | EC50 | = | 601.0 | nM | 6.22 | Agonist activity at human PreP assessed as degradation of ATP synthase pF1beta s... | 24602793 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24602793 | 10.1016/j.ejmech.2014.02.046 | Presequence protease, mitochondrial | 10 |
Data from ChEMBL 36 via Core Engine