Compound Detail
CHEMBL524324
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N=C(NCCC[C@H](N)C(=O)N[C@@H]1CN[C@@H](C(N)=O)C1)N[N+](=O)[O-]
Basic Information
| ChEMBL ID | CHEMBL524324 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUFRDGFKAVLPFZ-BIIVOSGPSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
-3.27
ALogP
7
HBA
7
HBD
201.3
PSA (Ų)
0.08
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 1 CHEMBL3568 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 1100.0 | nM | 5.96 | Inhibitory activity against neuronal nitric oxide synthase | 14667223 |
| Nitric oxide synthase 1 | Ki | = | 1100.0 | nM | 5.96 | Inhibition of nNOS assessed as conversion of L-[3H]arginine to L-[3H]citrulline | 18477512 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14667223 | 10.1021/jm030301u | Unchecked | 4 |
| 14667223 | 10.1021/jm030301u | Nitric oxide sythases; iNOS & nNOS | 1 |
| 18477512 | 10.1016/j.bmc.2008.04.036 | Nitric oxide synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine