Compound Detail
CHEMBL183892
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Basic Information
| ChEMBL ID | CHEMBL183892 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKULSIOVOCWIBT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
2.84
ALogP
5
HBA
1
HBD
60.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 1 CHEMBL3568 | IC50 | 7.24 | 7.24 | 58.0 | 1 |
| Nitric oxide synthase 3 CHEMBL4803 | IC50 | 5.43 | 5.43 | 3710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase 1 | IC50 | = | 58.0 | nM | 7.24 | Inhibitory activity against neuronal nitric oxide synthase in human | 15357982 |
| Nitric oxide synthase 3 | IC50 | = | 3710.0 | nM | 5.43 | Inhibitory activity against endothelial nitric oxide synthase in human | 15357982 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15357982 | 10.1016/j.bmcl.2004.06.043 | Nitric oxide synthase 1 | 1 |
| 15357982 | 10.1016/j.bmcl.2004.06.043 | Nitric oxide synthase 3 | 1 |
| 15357982 | 10.1016/j.bmcl.2004.06.043 | Nitric-oxide synthase (endothelial and brain) | 1 |
Data from ChEMBL 36 via Core Engine