Compound Detail
CHEMBL491898
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CC(=O)c1c(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c2c(F)ccc(F)c2c1=O
Basic Information
| ChEMBL ID | CHEMBL491898 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMYZPXZWGRNDJA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
450.3
MW (Da)
5.79
ALogP
3
HBA
2
HBD
62.0
PSA (Ų)
0.39
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.71 | 4.71 | 19400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 19400.0 | nM | 4.71 | Inhibition of Porphyromonas gingivalis recombinant SerB653 phosphatase expressed... | 22326397 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19419206 | 10.1021/jm8014734 | Calpain-1 catalytic subunit | 2 |
| 22326397 | 10.1016/j.bmcl.2012.01.011 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine