Compound Detail
CHEMBL143232
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Basic Information
| ChEMBL ID | CHEMBL143232 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZESUWTFSAYOWOC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
247.3
MW (Da)
0.73
ALogP
4
HBA
3
HBD
80.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 22000.0 | nM | 4.66 | In vitro inhibitory potency was tested against botulinum neurotoxin/B (BoNT/B) e... | 14561084 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14561084 | 10.1021/jm0300680 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine