Compound Detail
CHEMBL1650620
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Basic Information
| ChEMBL ID | CHEMBL1650620 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVOBTPSWHFSTQO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
155.2
MW (Da)
1.77
ALogP
3
HBA
1
HBD
25.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Elastase CHEMBL1075146 | IC50 | 4.09 | 4.09 | 80600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Elastase | IC50 | = | 80600.0 | nM | 4.09 | 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 | 2 |
| 21189019 | 10.1021/jm101266s | Interstitial collagenase | 1 |
| 21189019 | 10.1021/jm101266s | Neutrophil collagenase | 1 |
| 21189019 | 10.1021/jm101266s | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 21189019 | 10.1021/jm101266s | Tyrosinase | 1 |
| 21189019 | 10.1021/jm101266s | Matrix metalloproteinase-9 | 1 |
| 21189019 | 10.1021/jm101266s | 72 kDa type IV collagenase | 1 |
| 21189019 | 10.1021/jm101266s | Stromelysin-1 | 1 |
| 21189019 | 10.1021/jm101266s | Lethal factor | 1 |
| 34046606 | 10.1039/d0md00320d | No relevant target | 1 |
| 36105338 | 10.1021/acsmedchemlett.2c00256 | Glutaminyl-peptide cyclotransferase | 1 |
| 36325396 | 10.1039/d2md00175f | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine