Compound Detail
CHEMBL3967568
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Basic Information
| ChEMBL ID | CHEMBL3967568 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWEIGVZUODNNNR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
4.76
ALogP
3
HBA
2
HBD
50.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 1 CHEMBL3048 | Ki | 5.36 | 5.36 | 4370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase 1 | Ki | = | 4370.0 | nM | 5.36 | Inhibition Assay: To test for enzyme inhibition, the hemoglobin capture assay wa... | - |
Data from ChEMBL 36 via Core Engine