Compound Detail
CHEMBL4764577
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Cc1noc(-c2cnn(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)c2C(F)(F)F)n1
Basic Information
| ChEMBL ID | CHEMBL4764577 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSCBIRYODPHUBV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
458.4
MW (Da)
4.41
ALogP
8
HBA
1
HBD
129.0
PSA (Ų)
0.35
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5500.0 | nM | 5.26 | Inhibition of SOCE channel in tBhQ-treated HEK cells assessed as reduction in ca... | 33854704 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33854704 | 10.1021/acsmedchemlett.1c00034 | Unchecked | 3 |
| 33854704 | 10.1021/acsmedchemlett.1c00034 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine