Compound Detail
CHEMBL330433
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Basic Information
| ChEMBL ID | CHEMBL330433 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAFKJGPSFBQBMV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
289.7
MW (Da)
2.74
ALogP
5
HBA
0
HBD
51.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 3 CHEMBL4803 | IC50 | 5.08 | 5.08 | 8400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase 3 | IC50 | = | 8400.0 | nM | 5.08 | Inhibitory activity against Endothelial nitric oxide synthase | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)10101-9 | Nitric oxide synthase, inducible | 1 |
| - | 10.1016/S0960-894X(97)10101-9 | Nitric oxide synthase 3 | 1 |
| - | 10.1016/S0960-894X(97)10101-9 | Nitric oxide synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine