Compound Detail
CHEMBL5755631
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Basic Information
| ChEMBL ID | CHEMBL5755631 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CZBLKBKVAIKTJH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
342.5
MW (Da)
3.08
ALogP
4
HBA
2
HBD
54.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 1 CHEMBL3048 | Ki | 7.25 | 7.25 | 56.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.1 | 5.1 | 7890.0 | 1 |
| Nitric oxide synthase, inducible CHEMBL4481 | Ki | 5.08 | 5.08 | 8328.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase 1 | Ki | = | 56.0 | nM | 7.25 | Inhibition Assay: The NOSs isoform assays involved subjecting 3-8 to an oxyhemog... | - |
| Unchecked | Ki | = | 7890.0 | nM | 5.1 | Inhibition Assay: The NOSs isoform assays involved subjecting 3-8 to an oxyhemog... | - |
| Nitric oxide synthase, inducible | Ki | = | 8328.0 | nM | 5.08 | Inhibition Assay: The NOSs isoform assays involved subjecting 3-8 to an oxyhemog... | - |
Data from ChEMBL 36 via Core Engine