Compound Detail
CHEMBL95505
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Basic Information
| ChEMBL ID | CHEMBL95505 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPYZISFDTZGWPQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
281.7
MW (Da)
1.45
ALogP
5
HBA
0
HBD
41.6
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase, inducible CHEMBL4481 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Nitric oxide synthase 1 CHEMBL3568 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
| Nitric oxide synthase 3 CHEMBL4803 | IC50 | 4.81 | 4.81 | 15500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase, inducible | IC50 | = | 1200.0 | nM | 5.92 | Inhibitory activity against Inducible nitric oxide synthase | - |
| Nitric oxide synthase 1 | IC50 | = | 4400.0 | nM | 5.36 | Inhibitory activity against Neuronal nitric oxide synthase | - |
| Nitric oxide synthase 3 | IC50 | = | 15500.0 | nM | 4.81 | Inhibitory activity against Endothelial nitric oxide synthase | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)10101-9 | Nitric oxide synthase, inducible | 1 |
| - | 10.1016/S0960-894X(97)10101-9 | Nitric oxide synthase 3 | 1 |
| - | 10.1016/S0960-894X(97)10101-9 | Nitric oxide synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine