Compound Detail
CHEMBL2032257
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Basic Information
| ChEMBL ID | CHEMBL2032257 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFBMCGILJLDVDE-CMDGGOBGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
287.8
MW (Da)
3.83
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Botulinum neurotoxin type A CHEMBL5192 | IC50 | 4.22 | 4.22 | 60700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Botulinum neurotoxin type A | IC50 | = | 60700.0 | nM | 4.22 | Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as... | 22542019 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22542019 | 10.1016/j.bmcl.2012.04.019 | Botulinum neurotoxin type A | 1 |
Data from ChEMBL 36 via Core Engine