Compound Detail
CHEMBL148951
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Basic Information
| ChEMBL ID | CHEMBL148951 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOOBJDSBUDMEPW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
122.2
MW (Da)
0.58
ALogP
2
HBA
2
HBD
49.9
PSA (Ų)
0.42
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase, inducible CHEMBL4481 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Nitric oxide synthase 3 CHEMBL4803 | IC50 | 5.9 | 5.9 | 1260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase, inducible | IC50 | = | 140.0 | nM | 6.85 | The compound was evaluated for the inhibitory potencies using human Inducible ni... | 8978842 |
| Nitric oxide synthase 3 | IC50 | = | 1260.0 | nM | 5.9 | The compound was evaluated for the inhibitory potencies using human Endothelial ... | 8978842 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8978842 | 10.1021/jm960481q | Nitric oxide synthase, inducible | 1 |
| 8978842 | 10.1021/jm960481q | Nitric oxide synthase 3 | 1 |
| 8978842 | 10.1021/jm960481q | Nitric oxide synthase (inducible and endothelial) | 1 |
Data from ChEMBL 36 via Core Engine