Compound Detail
CHEMBL157958
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Basic Information
| ChEMBL ID | CHEMBL157958 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNPLSLSSVUBDKG-NFSFSXTOSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
221.3
MW (Da)
-1.27
ALogP
4
HBA
4
HBD
122.3
PSA (Ų)
0.25
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase, inducible CHEMBL4481 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| Nitric oxide synthase 1 CHEMBL3568 | IC50 | 4.17 | 4.17 | 68000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase, inducible | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of human inducible nitric oxide synthase | 10741561 |
| Nitric oxide synthase 1 | IC50 | = | 68000.0 | nM | 4.17 | Inhibition of human neuronal Nitric Oxide Synthase | 10741561 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10741561 | 10.1016/s0960-894x(00)00055-x | Nitric oxide synthase, inducible | 1 |
| 10741561 | 10.1016/s0960-894x(00)00055-x | Nitric oxide synthase 3 | 1 |
| 10741561 | 10.1016/s0960-894x(00)00055-x | Nitric oxide synthase (inducible and endothelial) | 1 |
| 10741561 | 10.1016/s0960-894x(00)00055-x | Nitric oxide synthase 1 | 1 |
| 10741561 | 10.1016/s0960-894x(00)00055-x | Nitric oxide sythases; iNOS & nNOS | 1 |
Data from ChEMBL 36 via Core Engine