Compound Detail
CHEMBL503356
PRAXADINE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL503356 |
| Name | PRAXADINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | UCQFSGCWHRTMGG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
3
Known Names
Molecular Properties
110.1
MW (Da)
-0.38
ALogP
3
HBA
2
HBD
67.7
PSA (Ų)
0.35
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
Ki 1 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 1 CHEMBL3568 | Ki | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase 1 | Ki | = | 400.0 | nM | 6.4 | Inhibition of nNOS assessed as conversion of L-[3H]arginine to L-[3H]citrulline | 18477512 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18477512 | 10.1016/j.bmc.2008.04.036 | Nitric oxide synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine