Compound Detail
CHEMBL185919
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL185919 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMFANDQFKVBAJW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
186.3
MW (Da)
1.90
ALogP
3
HBA
1
HBD
38.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase, inducible CHEMBL4481 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
| Nitric oxide synthase 1 CHEMBL3568 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Nitric oxide synthase 3 CHEMBL4803 | IC50 | 4.22 | 4.22 | 60000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase, inducible | IC50 | = | 320.0 | nM | 6.5 | Inhibitory concentration against Inducible nitric oxide synthase | 15501067 |
| Nitric oxide synthase 1 | IC50 | = | 1900.0 | nM | 5.72 | Inhibitory concentration against Neuronal nitric oxide synthase | 15501067 |
| Nitric oxide synthase 3 | IC50 | = | 60000.0 | nM | 4.22 | Inhibitory concentration against Endothelial nitric oxide synthase | 15501067 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15501067 | 10.1016/j.bmcl.2004.09.019 | Nitric oxide synthase, inducible | 1 |
| 15501067 | 10.1016/j.bmcl.2004.09.019 | Nitric oxide synthase 3 | 1 |
| 15501067 | 10.1016/j.bmcl.2004.09.019 | Nitric oxide synthase (inducible and endothelial) | 1 |
| 15501067 | 10.1016/j.bmcl.2004.09.019 | Nitric oxide synthase 1 | 1 |
| 15501067 | 10.1016/j.bmcl.2004.09.019 | Nitric-oxide synthase (endothelial and brain) | 1 |
Data from ChEMBL 36 via Core Engine