Compound Detail
CHEMBL267038
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Basic Information
| ChEMBL ID | CHEMBL267038 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RZKJKWXGHDDBCK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
166.2
MW (Da)
1.46
ALogP
2
HBA
1
HBD
38.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 1 CHEMBL3568 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Nitric oxide synthase, inducible CHEMBL4481 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Nitric oxide synthase 3 CHEMBL4803 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase, inducible | IC50 | = | 500.0 | nM | 6.3 | Inhibition of human Inducible nitric oxide synthase | 9438025 |
| Nitric oxide synthase 1 | IC50 | = | 500.0 | nM | 6.3 | Inhibition of human Neuronal nitric oxide synthase | 9438025 |
| Nitric oxide synthase 3 | IC50 | = | 2000.0 | nM | 5.7 | inhibition of human endothelial constitutive Endothelial nitric oxide synthase (... | 9438025 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9438025 | 10.1021/jm9705059 | Nitric oxide synthase, inducible | 1 |
| 9438025 | 10.1021/jm9705059 | Nitric oxide synthase 3 | 1 |
| 9438025 | 10.1021/jm9705059 | Nitric oxide synthase 1 | 1 |
| 9438025 | 10.1021/jm9705059 | Nitric oxide synthase (inducible and endothelial) | 1 |
| 9438025 | 10.1021/jm9705059 | Nitric oxide sythases; iNOS & nNOS | 1 |
Data from ChEMBL 36 via Core Engine