Compound Detail
CHEMBL75496
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Basic Information
| ChEMBL ID | CHEMBL75496 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFRRSPPCKUKUNO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
152.2
MW (Da)
1.86
ALogP
2
HBA
1
HBD
38.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase, inducible CHEMBL4481 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| Nitric oxide synthase, inducible CHEMBL3464 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Nitric oxide synthase 3 CHEMBL4803 | IC50 | 6.24 | 6.24 | 580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase, inducible | IC50 | = | 60.0 | nM | 7.22 | Concentration required to inhibit human Inducible nitric oxide synthase over exp... | 12161118 |
| Nitric oxide synthase, inducible | IC50 | = | 100.0 | nM | 7.0 | The concentration required for inhibition of Inducible nitric oxide synthase in ... | 12161118 |
| Nitric oxide synthase 3 | IC50 | = | 580.0 | nM | 6.24 | 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 | 2 |
| 12161118 | 10.1016/s0960-894x(02)00455-9 | Mus musculus | 2 |
| 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 |
| 12161118 | 10.1016/s0960-894x(02)00455-9 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine