Compound Detail
CHEMBL1950449
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O=C(CCc1ccc(-c2ccccc2)cc1)N[C@@H](CO)c1nc2cc(Cl)c(Cl)cc2[nH]1
Basic Information
| ChEMBL ID | CHEMBL1950449 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XALFXSBOGPCDTN-QFIPXVFZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
454.4
MW (Da)
5.32
ALogP
3
HBA
3
HBD
78.0
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysosomal Pro-X carboxypeptidase CHEMBL2335 | IC50 | 6.65 | 6.65 | 225.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysosomal Pro-X carboxypeptidase | IC50 | = | 225.0 | nM | 6.65 | Inhibition of human recombinant PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate ... | 22248857 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22248857 | 10.1016/j.bmcl.2011.12.064 | Lysosomal Pro-X carboxypeptidase | 1 |
Data from ChEMBL 36 via Core Engine