Compound Detail
CHEMBL484298
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Basic Information
| ChEMBL ID | CHEMBL484298 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXSXSDGUHOPEDJ-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
143.2
MW (Da)
1.43
ALogP
2
HBA
1
HBD
52.5
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 4.6
Ki 1 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 1 CHEMBL3048 | Ki | 4.89 | 4.89 | 13000.0 | 1 |
| Nitric oxide synthase 1 CHEMBL3048 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| Nitric oxide synthase 3 CHEMBL4802 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase 1 | Ki | = | 13000.0 | nM | 4.89 | Activity of rat brain recombinant nNOS assessed as L-arginine oxidation in prese... | 18502134 |
| Nitric oxide synthase 1 | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of rat brain recombinant nNOS | 18502134 |
| Nitric oxide synthase 3 | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of bovine recombinant eNOS | 18502134 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18502134 | 10.1016/j.bmc.2008.04.056 | Nitric oxide synthase 1 | 3 |
| 18502134 | 10.1016/j.bmc.2008.04.056 | Nitric oxide synthase, inducible | 1 |
| 18502134 | 10.1016/j.bmc.2008.04.056 | Nitric oxide synthase 3 | 1 |
| 21334118 | 10.1016/j.ejmech.2011.01.027 | Nitric oxide synthase, inducible | 1 |
| 21334118 | 10.1016/j.ejmech.2011.01.027 | Nitric oxide synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine