Compound Detail
CHEMBL1938522
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Basic Information
| ChEMBL ID | CHEMBL1938522 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHCYMWMINBEKJI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
434.0
MW (Da)
5.21
ALogP
3
HBA
1
HBD
45.2
PSA (Ų)
0.56
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysosomal Pro-X carboxypeptidase CHEMBL2335 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
| Lysosomal Pro-X carboxypeptidase CHEMBL1255149 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysosomal Pro-X carboxypeptidase | IC50 | = | 0.3 | nM | 9.52 | Inhibition of recombinant human PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate ... | 22079761 |
| Lysosomal Pro-X carboxypeptidase | IC50 | = | 2.1 | nM | 8.68 | Inhibition of recombinant mouse PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate ... | 22079761 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22079761 | 10.1016/j.bmcl.2011.10.060 | Lysosomal Pro-X carboxypeptidase | 2 |
Data from ChEMBL 36 via Core Engine