Compound Detail
CHEMBL4105563
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Basic Information
| ChEMBL ID | CHEMBL4105563 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIPQLXQKJNGLLA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
408.4
MW (Da)
0.78
ALogP
6
HBA
4
HBD
161.3
PSA (Ų)
0.37
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Meprin A subunit beta CHEMBL4105879 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| Meprin A subunit alpha CHEMBL4105775 | IC50 | 4.56 | 4.56 | 27350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Meprin A subunit beta | IC50 | = | 60.0 | nM | 7.22 | Inhibition of recombinant human meprin beta expressed in yeast using Abz-YVAEAPK... | 28408220 |
| Meprin A subunit alpha | IC50 | = | 27350.0 | nM | 4.56 | Inhibition of recombinant human meprin alpha expressed in S2 insect cells using ... | 28408220 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28408220 | 10.1016/j.bmcl.2017.04.012 | Unchecked | 3 |
| 28408220 | 10.1016/j.bmcl.2017.04.012 | Meprin A subunit beta | 1 |
| 28408220 | 10.1016/j.bmcl.2017.04.012 | Meprin A subunit alpha | 1 |
| 28408220 | 10.1016/j.bmcl.2017.04.012 | 72 kDa type IV collagenase | 1 |
| 28408220 | 10.1016/j.bmcl.2017.04.012 | Matrix metalloproteinase-9 | 1 |
| 28408220 | 10.1016/j.bmcl.2017.04.012 | Collagenase 3 | 1 |
| 28408220 | 10.1016/j.bmcl.2017.04.012 | Disintegrin and metalloproteinase domain-containing protein 10 | 1 |
| 28408220 | 10.1016/j.bmcl.2017.04.012 | Disintegrin and metalloproteinase domain-containing protein 17 | 1 |
Data from ChEMBL 36 via Core Engine