Compound Detail
CHEMBL61427
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Basic Information
| ChEMBL ID | CHEMBL61427 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWGGFJXJRPCCGD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
123.2
MW (Da)
0.55
ALogP
3
HBA
2
HBD
64.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase, inducible CHEMBL4481 | IC50 | 7.23 | 7.23 | 59.0 | 1 |
| Nitric oxide synthase 3 CHEMBL4803 | IC50 | 7.09 | 7.09 | 81.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase, inducible | IC50 | = | 59.0 | nM | 7.23 | Inhibitory activity against inducible nitric oxide synthase (iNOS) | 10987430 |
| Nitric oxide synthase 3 | IC50 | = | 81.0 | nM | 7.09 | Inhibitory activity against endothelial nitric oxide synthase (eNOS) | 10987430 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10987430 | 10.1016/s0960-894x(00)00389-9 | Nitric oxide sythases; iNOS & nNOS | 2 |
| 10987430 | 10.1016/s0960-894x(00)00389-9 | Nitric oxide synthase, inducible | 1 |
| 10987430 | 10.1016/s0960-894x(00)00389-9 | Nitric oxide synthase 3 | 1 |
| 10987430 | 10.1016/s0960-894x(00)00389-9 | Nitric oxide synthase 1 | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine