Compound Detail
CHEMBL4062444
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Basic Information
| ChEMBL ID | CHEMBL4062444 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMFWVNIPNUVRAW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
262.3
MW (Da)
-0.08
ALogP
4
HBA
3
HBD
95.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Meprin A subunit beta CHEMBL4105879 | IC50 | 4.75 | 4.75 | 17970.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Meprin A subunit beta | IC50 | = | 17970.0 | nM | 4.75 | Inhibition of recombinant human meprin beta expressed in yeast using Abz-YVAEAPK... | 28408220 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28408220 | 10.1016/j.bmcl.2017.04.012 | Meprin A subunit beta | 1 |
Data from ChEMBL 36 via Core Engine