Compound Detail
CHEMBL61430
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Basic Information
| ChEMBL ID | CHEMBL61430 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLDDLJBGRZJASZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
122.2
MW (Da)
1.28
ALogP
2
HBA
1
HBD
38.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 1 CHEMBL3568 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Nitric oxide synthase 3 CHEMBL4803 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
| Nitric oxide synthase, inducible CHEMBL4481 | IC50 | 4.84 | 4.84 | 14600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase 1 | IC50 | = | 2000.0 | nM | 5.7 | Inhibitory activity against neuronal nitric oxide synthase | 10987430 |
| Nitric oxide synthase 3 | IC50 | = | 3600.0 | nM | 5.44 | Inhibitory activity against endothelial nitric oxide synthase (eNOS) | 10987430 |
| Nitric oxide synthase, inducible | IC50 | = | 14600.0 | nM | 4.84 | Inhibitory activity against inducible nitric oxide synthase (iNOS) | 10987430 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3988442 | Unchecked | 4 |
| 10987430 | 10.1016/s0960-894x(00)00389-9 | Nitric oxide sythases; iNOS & nNOS | 2 |
| - | 10.6019/CHEMBL4513160 | Pseudomonas aeruginosa | 2 |
| 10987430 | 10.1016/s0960-894x(00)00389-9 | Nitric oxide synthase, inducible | 1 |
| 10987430 | 10.1016/s0960-894x(00)00389-9 | Nitric oxide synthase 3 | 1 |
| 10987430 | 10.1016/s0960-894x(00)00389-9 | Nitric oxide synthase 1 | 1 |
| - | 10.6019/CHEMBL4513160 | Acinetobacter baumannii | 1 |
Data from ChEMBL 36 via Core Engine