Compound Detail
CHEMBL2079330
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Basic Information
| ChEMBL ID | CHEMBL2079330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCUSKDWPXMSSRG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
364.5
MW (Da)
4.76
ALogP
3
HBA
2
HBD
57.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 1 CHEMBL3568 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Nitric oxide synthase 3 CHEMBL4803 | IC50 | 4.29 | 4.29 | 51400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase 1 | IC50 | = | 3000.0 | nM | 5.52 | Enzyme Assay: Enzyme assay using recombinant human inducible NOS (iNOS), human e... | - |
| Nitric oxide synthase 3 | IC50 | = | 51400.0 | nM | 4.29 | Enzyme Assay: Enzyme assay using recombinant human inducible NOS (iNOS), human e... | - |
| Nitric oxide synthase 3 | IC50 | = | 51400.0 | nM | 4.29 | Enzyme Assay: Enzyme assay using recombinant human inducible NOS (iNOS), human e... | - |
Data from ChEMBL 36 via Core Engine