Compound Detail
CHEMBL3099811
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N=C(N)c1ccc(Oc2ccc(NS(=O)(=O)c3cc(F)cc(F)c3)c(Oc3ccc(C(=N)N)cc3)n2)cc1
Basic Information
| ChEMBL ID | CHEMBL3099811 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OULLHRZBOHSCMV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
538.5
MW (Da)
4.31
ALogP
7
HBA
5
HBD
177.3
PSA (Ų)
0.16
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Suppressor of tumorigenicity 14 protein CHEMBL3018 | Ki | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Suppressor of tumorigenicity 14 protein | Ki | = | 1200.0 | nM | 5.92 | Inhibition of matriptase-SP1 (615 to 855) (unknown origin) expressed in Escheric... | 24900621 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900621 | 10.1021/ml400213v | Urokinase-type plasminogen activator | 1 |
| 24900621 | 10.1021/ml400213v | Suppressor of tumorigenicity 14 protein | 1 |
Data from ChEMBL 36 via Core Engine