Compound Detail
CHEMBL76342
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Basic Information
| ChEMBL ID | CHEMBL76342 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOKOWWYVKANQNJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
110.2
MW (Da)
0.69
ALogP
2
HBA
1
HBD
38.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 3 CHEMBL4803 | IC50 | 6.36 | 6.36 | 440.0 | 1 |
| Nitric oxide synthase, inducible CHEMBL4481 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase 3 | IC50 | = | 440.0 | nM | 6.36 | Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells | 12161118 |
| Nitric oxide synthase, inducible | IC50 | = | 700.0 | nM | 6.16 | Concentration required to inhibit human Inducible nitric oxide synthase over exp... | 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 |
Data from ChEMBL 36 via Core Engine