Compound Detail
CHEMBL3966562
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Cn1c(=O)n(CCCO)c(=O)c2c(Cc3ccc(Cl)cc3)c(Oc3cccc(OC(F)(F)F)c3)sc21
Basic Information
| ChEMBL ID | CHEMBL3966562 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BONXXQXWYDPMRF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
541.0
MW (Da)
5.08
ALogP
8
HBA
1
HBD
82.7
PSA (Ų)
0.34
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Short transient receptor potential channel 5 CHEMBL1250411 | IC50 | 6.23 | 6.23 | 584.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Short transient receptor potential channel 5 | IC50 | = | 584.0 | nM | 6.23 | High Throughput Screening Assay: The commercially available HEK293/TREx line (In... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30943030 | 10.1021/acs.jmedchem.8b01954 | Short transient receptor potential channel 5 | 1 |
Data from ChEMBL 36 via Core Engine