Compound Detail
CHEMBL6656
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Basic Information
| ChEMBL ID | CHEMBL6656 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RREBANHDFAXBEZ-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
146.2
MW (Da)
1.62
ALogP
2
HBA
1
HBD
38.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 1 CHEMBL3568 | IC50 | 5.31 | 4.93 | 4900.0 | 2 |
| Nitric oxide synthase, inducible CHEMBL4481 | IC50 | 4.85 | 4.425 | 14000.0 | 2 |
| Nitric oxide synthase 3 CHEMBL4803 | IC50 | 4.07 | 4.07 | 85000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase 1 | IC50 | = | 4900.0 | nM | 5.31 | Inhibitory activity against human Neuronal nitric oxide synthase (nNOS) | 15808455 |
| Nitric oxide synthase, inducible | IC50 | = | 14000.0 | nM | 4.85 | Inhibitory activity against human Inducible nitric oxide synthase (iNOS) | 15808455 |
| Nitric oxide synthase 1 | IC50 | = | 28000.0 | nM | 4.55 | Inhibition of human Neuronal nitric oxide synthase | 9438025 |
| Nitric oxide synthase 3 | IC50 | = | 85000.0 | nM | 4.07 | Inhibitory activity against human Endothelial nitric oxide synthase (eNOS) | 15808455 |
| Nitric oxide synthase, inducible | IC50 | = | 99000.0 | nM | 4.0 | Inhibition of human Inducible nitric oxide synthase | 9438025 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9438025 | 10.1021/jm9705059 | Nitric oxide synthase, inducible | 1 |
| 9438025 | 10.1021/jm9705059 | Nitric oxide synthase 3 | 1 |
| 9438025 | 10.1021/jm9705059 | Nitric oxide synthase 1 | 1 |
| 9438025 | 10.1021/jm9705059 | Nitric oxide synthase (inducible and endothelial) | 1 |
| 9438025 | 10.1021/jm9705059 | Nitric oxide sythases; iNOS & nNOS | 1 |
| 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