Compound Detail
CHEMBL5939111
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Basic Information
| ChEMBL ID | CHEMBL5939111 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RASJCIVUOVCJDB-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
298.4
MW (Da)
2.73
ALogP
4
HBA
2
HBD
54.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 1 CHEMBL3568 | Ki | 6.96 | 6.96 | 111.0 | 1 |
| Nitric oxide synthase 1 CHEMBL3048 | Ki | 6.72 | 6.72 | 190.0 | 1 |
| Nitric oxide synthase, inducible CHEMBL4481 | Ki | 5.26 | 5.26 | 5430.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.62 | 4.62 | 23700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase 1 | Ki | = | 111.0 | nM | 6.96 | Inhibition Assay: The NOSs isoform assays involved subjecting 3-8 to an oxyhemog... | - |
| Nitric oxide synthase 1 | Ki | = | 190.0 | nM | 6.72 | Inhibition Assay: The NOSs isoform assays involved subjecting 3-8 to an oxyhemog... | - |
| Nitric oxide synthase, inducible | Ki | = | 5430.0 | nM | 5.26 | Inhibition Assay: The NOSs isoform assays involved subjecting 3-8 to an oxyhemog... | - |
| Unchecked | Ki | = | 23700.0 | nM | 4.62 | Inhibition Assay: The NOSs isoform assays involved subjecting 3-8 to an oxyhemog... | - |
Data from ChEMBL 36 via Core Engine