Compound Detail
CHEMBL295458
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12)c1cccc([N+](=O)[O-])c1
Basic Information
| ChEMBL ID | CHEMBL295458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOIHZGNFCAITAJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
458.3
MW (Da)
5.31
ALogP
4
HBA
2
HBD
92.5
PSA (Ų)
0.31
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-sensitive inward rectifier potassium channel 11 CHEMBL1886 | EC50 | 6.93 | 6.93 | 117.0 | 1 |
| Sulfonylurea receptors; K-ATP channels CHEMBL2095152 | EC50 | 6.37 | 6.37 | 426.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-sensitive inward rectifier potassium channel 11 | EC50 | = | 117.0 | nM | 6.93 | Potassium channel opening activity in vitro using LtK cells transfected with Kir... | 12729655 |
| Sulfonylurea receptors; K-ATP channels | EC50 | = | 426.58 | nM | 6.37 | Potent effective concentration was evaluated for KATP channel opening activity i... | 12729655 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12729655 | 10.1016/s0960-894x(03)00205-1 | Sulfonylurea receptors; K-ATP channels | 2 |
| 12729655 | 10.1016/s0960-894x(03)00205-1 | ATP-sensitive inward rectifier potassium channel 11 | 1 |
Data from ChEMBL 36 via Core Engine