Compound Detail
CHEMBL2146999
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Basic Information
| ChEMBL ID | CHEMBL2146999 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDUXGJIFGACPBA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
321.4
MW (Da)
5.26
ALogP
3
HBA
1
HBD
25.2
PSA (Ų)
0.67
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Elastase CHEMBL1075146 | IC50 | 5.17 | 5.17 | 6720.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Elastase | IC50 | = | 6720.0 | nM | 5.17 | Antagonist activity at Pseudomonas aeruginosa LasB using Abz-Ala-Gly-Leu-Ala-p-N... | 23181168 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23181168 | 10.1021/ml300128f | Elastase | 1 |
Data from ChEMBL 36 via Core Engine