Compound Detail
CHEMBL174481
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Basic Information
| ChEMBL ID | CHEMBL174481 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRHGJUOMOHIJKK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
223.3
MW (Da)
2.52
ALogP
3
HBA
2
HBD
50.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase, inducible CHEMBL4481 | IC50 | 5.6 | 5.6 | 2500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase, inducible | IC50 | = | 2500.0 | nM | 5.6 | Inhibitory activity of compound against human inducible nitric oxide synthase | 12620067 |
| Nitric oxide synthase, inducible | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of iNOS | 18357974 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12620067 | 10.1021/jm0255926 | Nitric oxide synthase, inducible | 1 |
| 18357974 | 10.1021/jm701314u | Nitric oxide synthase, inducible | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine