Compound Detail
CHEMBL88308
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Basic Information
| ChEMBL ID | CHEMBL88308 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXILVSMPTBRDEC-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
130.2
MW (Da)
0.48
ALogP
3
HBA
1
HBD
38.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase, inducible CHEMBL4481 | IC50 | 5.85 | 5.71 | 1400.0 | 2 |
| Nitric oxide synthase 1 CHEMBL3568 | IC50 | 5.37 | 5.27 | 4300.0 | 2 |
| Nitric oxide synthase 3 CHEMBL4803 | IC50 | 4.87 | 4.615 | 13400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase, inducible | IC50 | = | 1400.0 | nM | 5.85 | Inhibitory concentration against Inducible nitric oxide synthase | 15501067 |
| Nitric oxide synthase, inducible | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of inducible nitric oxide synthase | 11551770 |
| Nitric oxide synthase 1 | IC50 | = | 4300.0 | nM | 5.37 | Inhibitory concentration against Neuronal nitric oxide synthase | 15501067 |
| Nitric oxide synthase 1 | IC50 | = | 6800.0 | nM | 5.17 | Inhibition of Neuronal nitric oxide synthase | 11551770 |
| Nitric oxide synthase 3 | IC50 | = | 13400.0 | nM | 4.87 | Inhibitory concentration against Endothelial nitric oxide synthase | 15501067 |
| Nitric oxide synthase 3 | IC50 | = | 43600.0 | nM | 4.36 | Inhibition of endothelial nitric oxide synthase | 11551770 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11551770 | 10.1016/s0960-894x(01)00523-6 | Nitric oxide synthase, inducible | 1 |
| 11551770 | 10.1016/s0960-894x(01)00523-6 | Nitric oxide synthase 3 | 1 |
| 11551770 | 10.1016/s0960-894x(01)00523-6 | Nitric oxide synthase 1 | 1 |
| 15501067 | 10.1016/j.bmcl.2004.09.019 | Nitric oxide synthase 3 | 1 |
| 15501067 | 10.1016/j.bmcl.2004.09.019 | Nitric oxide synthase (inducible and endothelial) | 1 |
| 15501067 | 10.1016/j.bmcl.2004.09.019 | Nitric oxide synthase 1 | 1 |
| 15501067 | 10.1016/j.bmcl.2004.09.019 | Nitric-oxide synthase (endothelial and brain) | 1 |
| 15501067 | 10.1016/j.bmcl.2004.09.019 | Nitric oxide synthase, inducible | 1 |
Data from ChEMBL 36 via Core Engine