Compound Detail
CHEMBL483973
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Basic Information
| ChEMBL ID | CHEMBL483973 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTZKWWOYTUJCTB-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
249.4
MW (Da)
-0.35
ALogP
5
HBA
4
HBD
89.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 1 CHEMBL3048 | IC50 | 5.89 | 5.68 | 1300.0 | 2 |
| Nitric oxide synthase 1 CHEMBL3568 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase 1 | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of wild type rat nNOS by hemoglobin capture assay | 19537690 |
| Nitric oxide synthase 1 | IC50 | = | 3400.0 | nM | 5.47 | Inhibition of rat nNOS L337H mutant by hemoglobin capture assay | 19537690 |
| Nitric oxide synthase 1 | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of human nNOS by hemoglobin capture assay | 19537690 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19537690 | 10.1021/jm900380j | Nitric oxide synthase 1 | 3 |
| 19537690 | 10.1021/jm900380j | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine