Compound Detail
CHEMBL106815
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Basic Information
| ChEMBL ID | CHEMBL106815 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDNHQWIPHPLQBI-WDSKDSINSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
304.3
MW (Da)
-3.88
ALogP
7
HBA
6
HBD
217.8
PSA (Ų)
0.08
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.51 | 5.555 | 310.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 310.0 | nM | 6.51 | Inhibitory activity against neuronal nitric oxide synthase | 14667223 |
| Unchecked | Ki | = | 25000.0 | nM | 4.6 | Inhibitory activity against Inducible nitric oxide synthase | 14667223 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14667223 | 10.1021/jm030301u | Unchecked | 4 |
| 14667223 | 10.1021/jm030301u | Nitric oxide sythases; iNOS & nNOS | 1 |
Data from ChEMBL 36 via Core Engine