Compound Detail
CHEMBL297096
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Basic Information
| ChEMBL ID | CHEMBL297096 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRSRVBDYFUDJCK-CHWSQXEVSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
-0.70
ALogP
7
HBA
5
HBD
172.5
PSA (Ų)
0.09
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 1 CHEMBL3048 | Ki | 5.72 | 5.71 | 1900.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 5.7 | 5.5 | 2000.0 | 2 |
| Nitric oxide synthase 3 CHEMBL4802 | Ki | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase 1 | Ki | = | 1900.0 | nM | 5.72 | Inhibition of rat nNOS | 23458846 |
| Nitric oxide synthase 1 | Ki | = | 2000.0 | nM | 5.7 | Inhibitory activity against Neuronal Nitric Oxide Synthase (nNOS) | 12699384 |
| Unchecked | Ki | = | 2000.0 | nM | 5.7 | Inhibitory activity against neuronal nitric oxide synthase | 14667223 |
| Nitric oxide synthase 3 | Ki | = | 5000.0 | nM | 5.3 | Inhibitory activity against endothelial nitric oxide synthase (eNOS) | 12699384 |
| Unchecked | Ki | = | 5000.0 | nM | 5.3 | Inhibitory activity against endothelial nitric oxide synthase (eNOS) | 14667223 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14667223 | 10.1021/jm030301u | Unchecked | 4 |
| 12699384 | 10.1021/jm0202932 | Unchecked | 2 |
| 23458846 | 10.1021/jm3015926 | Unchecked | 2 |
| 12699384 | 10.1021/jm0202932 | Nitric oxide synthase 1 | 1 |
| 12699384 | 10.1021/jm0202932 | Nitric oxide synthase, inducible | 1 |
| 12699384 | 10.1021/jm0202932 | Nitric oxide synthase 3 | 1 |
| 14667223 | 10.1021/jm030301u | Nitric oxide sythases; iNOS & nNOS | 1 |
| 23458846 | 10.1021/jm3015926 | Nitric oxide synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine