Compound Detail
CHEMBL409050
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Basic Information
| ChEMBL ID | CHEMBL409050 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIVDXXYINPJHPU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
215.3
MW (Da)
2.25
ALogP
3
HBA
2
HBD
50.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase, inducible CHEMBL4481 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase, inducible | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of iNOS | 18357974 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18357974 | 10.1021/jm701314u | Nitric oxide synthase, inducible | 1 |
Data from ChEMBL 36 via Core Engine