Compound Detail
CHEMBL1950439
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C[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)O)[C@@H](C)c1ccc(OCC(F)(F)F)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1
Basic Information
| ChEMBL ID | CHEMBL1950439 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKWPGEGCJMMOCU-QAJFTPDKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
575.4
MW (Da)
5.05
ALogP
5
HBA
4
HBD
116.3
PSA (Ų)
0.29
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysosomal Pro-X carboxypeptidase CHEMBL2335 | IC50 | 9.13 | 9.13 | 0.7 | 1 |
| Lysosomal Pro-X carboxypeptidase CHEMBL1255149 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysosomal Pro-X carboxypeptidase | IC50 | = | 0.74 | nM | 9.13 | Inhibition of human recombinant PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate ... | 22248857 |
| Lysosomal Pro-X carboxypeptidase | IC50 | = | 45.0 | nM | 7.35 | Inhibition of PrCP-mediated angiotensin3 cleavage in mouse plasma using Mca-Ala-... | 22248857 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22248857 | 10.1016/j.bmcl.2011.12.064 | Lysosomal Pro-X carboxypeptidase | 2 |
Data from ChEMBL 36 via Core Engine