Compound Detail
CHEMBL24449
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Basic Information
| ChEMBL ID | CHEMBL24449 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTTLBYITFHMYFK-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
223.2
MW (Da)
2.86
ALogP
3
HBA
0
HBD
43.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.2
IC50 1 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 5.2 | 5.18 | 6380.0 | 2 |
| Neutrophil elastase CHEMBL248 | Ki | 5.02 | 5.02 | 9549.9 | 2 |
| Neutrophil elastase CHEMBL248 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 6380.0 | nM | 5.2 | Displacement of [3H]DPCPX from Sprague-Dawley rat whole brain membrane A1AR by s... | 32631506 |
| Adenosine receptor A1 | Ki | = | 6920.0 | nM | 5.16 | Displacement of [3H]DPCPX from Sprague-Dawley rat whole brain membrane A1AR in p... | 32631506 |
| Neutrophil elastase | Ki | = | 9549.93 | nM | 5.02 | Inhibition of human leukocyte elastase | 2299617 |
| Neutrophil elastase | Ki | = | 9549.93 | nM | 5.02 | pKi against human leukocyte elastase (HLE) | 10340616 |
| Neutrophil elastase | IC50 | = | 17000.0 | nM | 4.77 | In vitro inhibitory activity against human leukocyte elastase (HLE) | 10340616 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10340616 | 10.1016/s0960-894x(99)00168-7 | Neutrophil elastase | 5 |
| 32631506 | 10.1016/j.bmcl.2020.127274 | Adenosine receptor A1 | 3 |
| 2299617 | 10.1021/jm00164a002 | Neutrophil elastase | 2 |
| 32631506 | 10.1016/j.bmcl.2020.127274 | Adenosine receptor A2a | 2 |
| 2299617 | 10.1021/jm00164a002 | ADMET | 1 |
| 29463448 | 10.1016/j.bmcl.2018.02.017 | Unchecked | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
Data from ChEMBL 36 via Core Engine