Compound Detail
CHEMBL5275607
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Cc1nc(Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c2c3c(sc2n1)CC(C)(C)CC3
Basic Information
| ChEMBL ID | CHEMBL5275607 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CZEYZCDWWQWJEJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
497.6
MW (Da)
5.66
ALogP
8
HBA
2
HBD
110.0
PSA (Ų)
0.37
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 5.47 | 5.47 | 3350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 55 | IC50 | = | 3350.0 | nM | 5.47 | Antagonist activity at beta-galactosidase fused human GPR55 expressed in CHO cel... | 36655130 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36655130 | 10.1021/acsmedchemlett.2c00325 | G-protein coupled receptor 55 | 1 |
Data from ChEMBL 36 via Core Engine