Compound Detail
CHEMBL5801236
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Basic Information
| ChEMBL ID | CHEMBL5801236 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SIWOODXCGWJMPB-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
2.94
ALogP
4
HBA
2
HBD
54.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 1 CHEMBL3048 | Ki | 7.34 | 7.34 | 46.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.37 | 5.37 | 4288.0 | 1 |
| Nitric oxide synthase, inducible CHEMBL4481 | Ki | 5.3 | 5.3 | 5043.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase 1 | Ki | = | 46.0 | nM | 7.34 | Inhibition Assay: The NOSs isoform assays involved subjecting 3-8 to an oxyhemog... | - |
| Unchecked | Ki | = | 4288.0 | nM | 5.37 | Inhibition Assay: The NOSs isoform assays involved subjecting 3-8 to an oxyhemog... | - |
| Nitric oxide synthase, inducible | Ki | = | 5043.0 | nM | 5.3 | Inhibition Assay: The NOSs isoform assays involved subjecting 3-8 to an oxyhemog... | - |
Data from ChEMBL 36 via Core Engine