Compound Detail
CHEMBL116641
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Basic Information
| ChEMBL ID | CHEMBL116641 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKYMHQLYNCGEBF-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
292.4
MW (Da)
1.90
ALogP
3
HBA
3
HBD
78.4
PSA (Ų)
0.30
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.28
Ki 2 meas. best 6.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aminopeptidase N CHEMBL2590 | IC50 | 6.28 | 6.28 | 528.0 | 1 |
| Neutrophil collagenase CHEMBL4588 | Ki | 6.27 | 6.27 | 537.0 | 2 |
| Aminopeptidase N CHEMBL4117 | IC50 | 6.1 | 6.1 | 790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aminopeptidase N | IC50 | = | 528.0 | nM | 6.28 | Inhibition of microsomal neural aminopeptidase in pig kidney | 17070058 |
| Neutrophil collagenase | Ki | = | 540.0 | nM | 6.27 | Inhibition of Matrix metalloprotease-8 (Human neutrophil collagenase, MMP-8) | 9464365 |
| Neutrophil collagenase | Ki | = | 537.03 | nM | 6.27 | Inhibition of MMP8 | 17275314 |
| Aminopeptidase N | IC50 | = | 790.0 | nM | 6.1 | Inhibition of Plasmodium falciparum FcB1 M1 aminopeptidase | 17326615 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17326615 | 10.1021/jm061169b | Aminopeptidase N | 3 |
| 9464365 | 10.1021/jm9706426 | Neutrophil collagenase | 1 |
| 17070058 | 10.1016/j.bmc.2006.10.010 | Aminopeptidase N | 1 |
| 17275314 | 10.1016/j.bmc.2007.01.011 | Neutrophil collagenase | 1 |
Data from ChEMBL 36 via Core Engine