Compound Detail
CHEMBL386628
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=C1COCC2=C1[C@@H](c1ccc(F)c(Br)c1)C1=C(O)O[C@@H](c3ccccc3)C1=N2
Basic Information
| ChEMBL ID | CHEMBL386628 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXCCEMFBMMNOAA-UTKZUKDTSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
456.3
MW (Da)
4.52
ALogP
5
HBA
1
HBD
68.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sulfonylurea receptor 2, Kir6.2 CHEMBL2095198 | EC50 | 6.59 | 6.24 | 257.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sulfonylurea receptor 2, Kir6.2 | EC50 | = | 257.04 | nM | 6.59 | Ability to open human urinary bladder Kir6.2 channel containing SUR2B in Ltk cel... | 17154517 |
| Sulfonylurea receptor 2, Kir6.2 | EC50 | = | 1288.25 | nM | 5.89 | Activity against pig bladder KATP channel opening assessed as ability to relax f... | 17154517 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17154517 | 10.1021/jm060549u | Sulfonylurea receptor 2, Kir6.2 | 4 |
Data from ChEMBL 36 via Core Engine