Compound Detail
CHEMBL185535
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Basic Information
| ChEMBL ID | CHEMBL185535 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGTGCXXJCCYMRS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
124.2
MW (Da)
1.22
ALogP
1
HBA
1
HBD
27.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 1 CHEMBL3568 | IC50 | 5.02 | 5.02 | 9600.0 | 1 |
| Nitric oxide synthase 3 CHEMBL4803 | IC50 | 4.48 | 4.48 | 33000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase 1 | IC50 | = | 9600.0 | nM | 5.02 | Inhibitory activity against Neuronal nitric oxide synthase | 15357988 |
| Nitric oxide synthase 3 | IC50 | = | 33000.0 | nM | 4.48 | Inhibitory activity against Endothelial nitric oxide synthase | 15357988 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15357988 | 10.1016/j.bmcl.2004.06.033 | Nitric oxide synthase, inducible | 1 |
| 15357988 | 10.1016/j.bmcl.2004.06.033 | Nitric oxide synthase 3 | 1 |
| 15357988 | 10.1016/j.bmcl.2004.06.033 | Nitric oxide synthase (inducible and endothelial) | 1 |
| 15357988 | 10.1016/j.bmcl.2004.06.033 | Nitric oxide synthase 1 | 1 |
| 15357988 | 10.1016/j.bmcl.2004.06.033 | Nitric oxide sythases; iNOS & nNOS | 1 |
Data from ChEMBL 36 via Core Engine