Compound Detail
CHEMBL2146998
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Basic Information
| ChEMBL ID | CHEMBL2146998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTZMEXZPYFUXGG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
5.09
ALogP
3
HBA
1
HBD
25.2
PSA (Ų)
0.68
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 5.85 | 5.165 | 1400.0 | 2 |
| Elastase CHEMBL1075146 | IC50 | 5.33 | 5.33 | 4650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 1400.0 | nM | 5.85 | Zinc chelating activity mediated inhibition of Clostridium botulinum BoNT/A1 LC ... | 34046606 |
| Elastase | IC50 | = | 4650.0 | nM | 5.33 | Antagonist activity at Pseudomonas aeruginosa LasB using Abz-Ala-Gly-Leu-Ala-p-N... | 23181168 |
| No relevant target | IC50 | = | 33000.0 | nM | 4.48 | Zinc chelating activity mediated inhibition of Clostridium botulinum Hall A hype... | 34046606 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34046606 | 10.1039/d0md00320d | No relevant target | 2 |
| 23181168 | 10.1021/ml300128f | Elastase | 1 |
Data from ChEMBL 36 via Core Engine