Compound Detail
CHEMBL3138612
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CC1(C)CC(=O)C2=C(C1)NC1=C([C@@H]2c2ccc(F)c(Br)c2)S(=O)(=O)CC1
Basic Information
| ChEMBL ID | CHEMBL3138612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAGKQXRGCIMDON-MRXNPFEDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
440.3
MW (Da)
3.95
ALogP
4
HBA
1
HBD
63.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sulfonylurea receptors; K-ATP channels CHEMBL2095152 | EC50 | 4.75 | 4.75 | 17782.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sulfonylurea receptors; K-ATP channels | EC50 | = | 17782.79 | nM | 4.75 | Evaluated for K-ATP activity in terms of change in membrane potential through gu... | 15163196 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15163196 | 10.1021/jm030356w | Sulfonylurea receptors; K-ATP channels | 2 |
Data from ChEMBL 36 via Core Engine