Compound Detail
CHEMBL5777886
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Basic Information
| ChEMBL ID | CHEMBL5777886 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIZFOVOCSBUKHO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
3.90
ALogP
4
HBA
2
HBD
63.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 1 CHEMBL3048 | Ki | 5.99 | 5.99 | 1026.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.99 | 4.99 | 10270.0 | 1 |
| Nitric oxide synthase, inducible CHEMBL4481 | Ki | 4.96 | 4.96 | 10978.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase 1 | Ki | = | 1026.0 | nM | 5.99 | Inhibition Assay: The NOSs isoform assays involved subjecting 3-8 to an oxyhemog... | - |
| Unchecked | Ki | = | 10270.0 | nM | 4.99 | Inhibition Assay: The NOSs isoform assays involved subjecting 3-8 to an oxyhemog... | - |
| Nitric oxide synthase, inducible | Ki | = | 10978.0 | nM | 4.96 | Inhibition Assay: The NOSs isoform assays involved subjecting 3-8 to an oxyhemog... | - |
Data from ChEMBL 36 via Core Engine