Compound Detail
CHEMBL4451083
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Cn1c(=O)n(CCCO)c(=O)c2c(Cc3ccccc3)c(-c3cccc(OC(F)(F)F)c3)ccc21
Basic Information
| ChEMBL ID | CHEMBL4451083 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGQMAQHQMRPRKK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
484.5
MW (Da)
4.24
ALogP
6
HBA
1
HBD
73.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Short transient receptor potential channel 5 CHEMBL1250411 | IC50 | 8.28 | 7.895 | 5.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Short transient receptor potential channel 5 | IC50 | = | 5.3 | nM | 8.28 | Inhibition of TRPC5 (unknown origin) transfected in HEK293/TREx cells assessed a... | 27326323 |
| Short transient receptor potential channel 5 | IC50 | = | 31.2 | nM | 7.51 | Inhibition of TRPC5 (unknown origin) transfected in HEK293/TREx cells assessed a... | 27326323 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27326323 | 10.1021/acsmedchemlett.6b00182 | Short transient receptor potential channel 5 | 2 |
| 30943030 | 10.1021/acs.jmedchem.8b01954 | Short transient receptor potential channel 5 | 1 |
Data from ChEMBL 36 via Core Engine