Compound Detail
CHEMBL1521960
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CN1/C(=C\C=C\C2=[N+](C)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2ccccc21.[O-][Cl+3]([O-])([O-])[O-]
Basic Information
| ChEMBL ID | CHEMBL1521960 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUROROWBICYGHB-UHFFFAOYSA-M |
| Parent Compound | CHEMBL600519 |
| Active Moiety | CHEMBL600519 |
6
Targets
15
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
407.6
MW (Da)
6.71
ALogP
1
HBA
0
HBD
6.2
PSA (Ų)
0.43
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 6.8
EC50 6 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 8.4 | 7.3067 | 4.0 | 3 |
| X-box-binding protein 1 CHEMBL1741176 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.12 | 5.2457 | 761.4 | 7 |
| Nucleic Acid CHEMBL345 | EC50 | 5.33 | 5.33 | 4710.0 | 1 |
| Ephrin type-A receptor 4 CHEMBL1293259 | IC50 | 5.3 | 5.3 | 4950.0 | 1 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2 CHEMBL2095163 | EC50 | 5.09 | 5.09 | 8191.0 | 1 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 1 CHEMBL2095162 | EC50 | 4.87 | 4.87 | 13380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine