Compound Detail
CHEMBL5093260
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5093260 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXDYWRBZZHAACX-CSKARUKUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
328.2
MW (Da)
4.97
ALogP
2
HBA
1
HBD
40.5
PSA (Ų)
0.24
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Botulinum neurotoxin type A CHEMBL5192 | Ki | 5.33 | 5.33 | 4660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Botulinum neurotoxin type A | Ki | = | 4660.0 | nM | 5.33 | Inhibition of Clostridium botulinum BoNT/A light chain assessed as inhibition co... | 35450355 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35450355 | 10.1021/acsmedchemlett.2c00028 | Botulinum neurotoxin type A | 2 |
Data from ChEMBL 36 via Core Engine