Compound Detail
CHEMBL5084806
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Basic Information
| ChEMBL ID | CHEMBL5084806 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCMVPFBPJNUJIF-PKNBQFBNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
342.3
MW (Da)
5.36
ALogP
2
HBA
1
HBD
40.5
PSA (Ų)
0.22
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Botulinum neurotoxin type A CHEMBL5192 | Ki | 5.55 | 5.55 | 2840.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Botulinum neurotoxin type A | Ki | = | 2840.0 | nM | 5.55 | 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