Compound Detail
CHEMBL3086030
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CN(C(=O)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1)C(c1ccccc1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3086030 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWKDCAHKUKXUGT-NLDZOOGBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
547.5
MW (Da)
6.28
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.36
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysosomal Pro-X carboxypeptidase CHEMBL2335 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| Lysosomal Pro-X carboxypeptidase CHEMBL1255149 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysosomal Pro-X carboxypeptidase | IC50 | = | 17.0 | nM | 7.77 | Inhibition of recombinant human PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate ... | 24157366 |
| Lysosomal Pro-X carboxypeptidase | IC50 | = | 170.0 | nM | 6.77 | Inhibition of recombinant mouse PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate ... | 24157366 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24157366 | 10.1016/j.bmcl.2013.09.094 | Lysosomal Pro-X carboxypeptidase | 2 |
Data from ChEMBL 36 via Core Engine