Compound Detail
CHEMBL3262020
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Basic Information
| ChEMBL ID | CHEMBL3262020 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRRPWROZZNIOKD-NRFANRHFSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
346.5
MW (Da)
3.70
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 6.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 1 CHEMBL3048 | Ki | 6.04 | 6.04 | 903.0 | 2 |
| Nitric oxide synthase 1 CHEMBL3568 | Ki | 6.04 | 6.04 | 903.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase 1 | Ki | = | 903.0 | nM | 6.04 | Inhibition of purified rat nNOS assessed as inhibition of nitric oxide-mediated ... | 24758147 |
| Nitric oxide synthase 1 | Ki | = | 903.0 | nM | 6.04 | Inhibition Assay: The NOSs isoform assays involved subjecting 3-8 to an oxyhemog... | - |
| Nitric oxide synthase 1 | Ki | = | 903.0 | nM | 6.04 | Enzyme Inhibition Assay: Enzyme inhibition was evaluated by measuring NO product... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24758147 | 10.1021/jm5004182 | Unchecked | 2 |
| 24758147 | 10.1021/jm5004182 | Nitric oxide synthase 1 | 1 |
| 24758147 | 10.1021/jm5004182 | Nitric oxide synthase, inducible | 1 |
| 24758147 | 10.1021/jm5004182 | Nitric oxide synthase 3 | 1 |
Data from ChEMBL 36 via Core Engine