Compound Detail
CHEMBL269180
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Basic Information
| ChEMBL ID | CHEMBL269180 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KROQACOVMFREMF-LURJTMIESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
189.2
MW (Da)
-0.42
ALogP
4
HBA
4
HBD
107.9
PSA (Ų)
0.20
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase, inducible CHEMBL3464 | Ki | 4.42 | 4.42 | 37700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase, inducible | Ki | = | 37700.0 | nM | 4.42 | The compound was tested for competitive antagonist of Nitric oxide synthase | 10843221 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10843221 | 10.1016/s0960-894x(00)00171-2 | Nitric oxide synthase, inducible | 1 |
Data from ChEMBL 36 via Core Engine