Compound Detail
CHEMBL397710
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Basic Information
| ChEMBL ID | CHEMBL397710 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHFNDIVJRLHNNN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
505.7
MW (Da)
5.66
ALogP
8
HBA
3
HBD
90.3
PSA (Ų)
0.17
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 1 CHEMBL3568 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Nitric oxide synthase 3 CHEMBL4803 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase 1 | IC50 | = | 300.0 | nM | 6.52 | Inhibition of human neuronal NOS activity | 17317165 |
| Nitric oxide synthase 3 | IC50 | = | 5200.0 | nM | 5.28 | Inhibition of human endothelial NOS activity | 17317165 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17317165 | 10.1016/j.bmcl.2007.02.011 | Nitric oxide synthase 1 | 1 |
| 17317165 | 10.1016/j.bmcl.2007.02.011 | Nitric oxide synthase 3 | 1 |
| 17317165 | 10.1016/j.bmcl.2007.02.011 | Nitric oxide synthase, inducible | 1 |
| 17317165 | 10.1016/j.bmcl.2007.02.011 | Unchecked | 1 |
| 17317165 | 10.1016/j.bmcl.2007.02.011 | Nitric oxide sythases; iNOS & nNOS | 1 |
Data from ChEMBL 36 via Core Engine