Compound Detail
CHEMBL2013188
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Basic Information
| ChEMBL ID | CHEMBL2013188 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQNBJPXPXUUCPJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
329.3
MW (Da)
2.79
ALogP
7
HBA
2
HBD
123.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase, inducible CHEMBL3464 | IC50 | 5.33 | 5.33 | 4730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase, inducible | IC50 | = | 4730.0 | nM | 5.33 | Inhibition of iNOS-induced NO production in LPS-stimulated mouse BV2 cells after... | 22366656 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22366656 | 10.1016/j.bmcl.2012.01.135 | Nitric oxide synthase, inducible | 2 |
Data from ChEMBL 36 via Core Engine