Compound Detail
CHEMBL92475
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Basic Information
| ChEMBL ID | CHEMBL92475 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KENFUNZIVHXJNM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
155.2
MW (Da)
0.63
ALogP
3
HBA
2
HBD
64.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase, inducible CHEMBL4481 | IC50 | 6.15 | 6.15 | 701.0 | 1 |
| Nitric oxide synthase 1 CHEMBL3568 | IC50 | 6.03 | 6.03 | 932.0 | 1 |
| Nitric oxide synthase 3 CHEMBL4803 | IC50 | 4.41 | 4.41 | 39070.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase, inducible | IC50 | = | 701.0 | nM | 6.15 | Inhibition of inducible nitric oxide synthase | 11551770 |
| Nitric oxide synthase 1 | IC50 | = | 932.0 | nM | 6.03 | Inhibition of Neuronal nitric oxide synthase | 11551770 |
| Nitric oxide synthase 3 | IC50 | = | 39070.0 | nM | 4.41 | 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 |
Data from ChEMBL 36 via Core Engine