Compound Detail
CHEMBL190655
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Basic Information
| ChEMBL ID | CHEMBL190655 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFSHJUMYVDDDRE-OPRDCNLKSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
180.3
MW (Da)
2.33
ALogP
2
HBA
1
HBD
38.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase, inducible CHEMBL4481 | IC50 | 6.07 | 6.07 | 860.0 | 1 |
| Nitric oxide synthase 1 CHEMBL3568 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Nitric oxide synthase 3 CHEMBL4803 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase, inducible | IC50 | = | 860.0 | nM | 6.07 | Inhibitory activity against human Inducible nitric oxide synthase (iNOS) | 15808455 |
| Nitric oxide synthase 1 | IC50 | = | 1300.0 | nM | 5.89 | Inhibitory activity against human Neuronal nitric oxide synthase (nNOS) | 15808455 |
| Nitric oxide synthase 3 | IC50 | = | 4500.0 | nM | 5.35 | Inhibitory activity against human Endothelial nitric oxide synthase (eNOS) | 15808455 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15808455 | 10.1016/j.bmcl.2005.02.067 | Nitric oxide synthase, inducible | 1 |
| 15808455 | 10.1016/j.bmcl.2005.02.067 | Nitric oxide synthase 3 | 1 |
| 15808455 | 10.1016/j.bmcl.2005.02.067 | Nitric oxide synthase 1 | 1 |
| 15808455 | 10.1016/j.bmcl.2005.02.067 | Nitric oxide synthase (inducible and endothelial) | 1 |
| 15808455 | 10.1016/j.bmcl.2005.02.067 | Nitric oxide sythases; iNOS & nNOS | 1 |
Data from ChEMBL 36 via Core Engine