Compound Detail
CHEMBL239090
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CC(Cl)(Cl)C(NC(=O)c1ccc(Cl)cc1)N/C(=N/C#N)Nc1ccc(C(F)(F)F)nc1
Basic Information
| ChEMBL ID | CHEMBL239090 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHQVGMHYYBSAEE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
493.7
MW (Da)
4.54
ALogP
4
HBA
3
HBD
102.2
PSA (Ų)
0.19
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-sensitive inward rectifier potassium channel 11 CHEMBL1886 | EC50 | 5.79 | 5.79 | 1621.8 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.78 | 5.78 | 1659.6 | 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 | = | 1621.81 | nM | 5.79 | Channel opening activity at human bladder Kir6.2 channel containing SUR2B expres... | 17973362 |
| Unchecked | EC50 | = | 1659.59 | nM | 5.78 | Activity at Kir6.2 channel in Landrace pig bladder detrusor assessed as relaxati... | 17973362 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17973362 | 10.1021/jm7010194 | ATP-sensitive inward rectifier potassium channel 11 | 1 |
| 17973362 | 10.1021/jm7010194 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine