Compound Detail
CHEMBL260277
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Basic Information
| ChEMBL ID | CHEMBL260277 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZWTXXAVOPPTGW-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
124.2
MW (Da)
1.29
ALogP
1
HBA
2
HBD
35.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase, inducible CHEMBL4481 | IC50 | 5.92 | 5.92 | 1200.0 | 2 |
| Nitric oxide synthase 3 CHEMBL4803 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase, inducible | IC50 | = | 1200.0 | nM | 5.92 | Concentration required to inhibit human Inducible nitric oxide synthase over exp... | 12161118 |
| Nitric oxide synthase, inducible | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of iNOS | 18357974 |
| Nitric oxide synthase 3 | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells | 12161118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12161118 | 10.1016/s0960-894x(02)00455-9 | Nitric oxide synthase, inducible | 1 |
| 12161118 | 10.1016/s0960-894x(02)00455-9 | Nitric oxide synthase 3 | 1 |
| 12161118 | 10.1016/s0960-894x(02)00455-9 | Nitric oxide synthase (inducible and endothelial) | 1 |
| 18357974 | 10.1021/jm701314u | Nitric oxide synthase, inducible | 1 |
Data from ChEMBL 36 via Core Engine