Compound Detail
CHEMBL5285201
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Basic Information
| ChEMBL ID | CHEMBL5285201 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSSDVRJWSPNWRU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
306.3
MW (Da)
3.55
ALogP
3
HBA
3
HBD
78.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Elastase CHEMBL1075146 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Elastase | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of Pseudomonas aeruginosa LasB elastase using aminobenzoyl-Ala-Gly-Le... | 26804741 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26804741 | 10.1021/acs.jmedchem.5b01698 | Elastase | 1 |
Data from ChEMBL 36 via Core Engine