Compound Detail
CHEMBL3946580
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Basic Information
| ChEMBL ID | CHEMBL3946580 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHAGCYOTZHGFQM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
491.4
MW (Da)
4.83
ALogP
7
HBA
1
HBD
73.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Short transient receptor potential channel 5 CHEMBL1250411 | IC50 | 6.93 | 6.93 | 117.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Short transient receptor potential channel 5 | IC50 | = | 117.0 | nM | 6.93 | 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