Compound Detail
CHEMBL3589422
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Basic Information
| ChEMBL ID | CHEMBL3589422 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQQAZNBREIZBNP-WUXMJOGZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
239.3
MW (Da)
0.89
ALogP
4
HBA
2
HBD
68.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol carrier protein 2 CHEMBL3588733 | EC50 | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sterol carrier protein 2 | EC50 | = | 600.0 | nM | 6.22 | Inhibition of NBD-cholesterol binding to recombinant Aedes aegypti SCP-2 protein... | 26087027 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26087027 | 10.1016/j.ejmech.2015.04.061 | Aedes aegypti | 3 |
| 26087027 | 10.1016/j.ejmech.2015.04.061 | Sterol carrier protein 2 | 2 |
| 26087027 | 10.1016/j.ejmech.2015.04.061 | ADMET | 1 |
| 26087027 | 10.1016/j.ejmech.2015.04.061 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine