Compound Detail
CHEMBL1950310
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@H](NC(=O)CCN1CCN(c2ccc(F)cc2)CC1)c1nc2cc(Cl)c(Cl)cc2[nH]1
Basic Information
| ChEMBL ID | CHEMBL1950310 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUNUCWDMFHWMIM-AWEZNQCLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
464.4
MW (Da)
4.40
ALogP
4
HBA
2
HBD
64.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysosomal Pro-X carboxypeptidase CHEMBL2335 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Lysosomal Pro-X carboxypeptidase CHEMBL1255149 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysosomal Pro-X carboxypeptidase | IC50 | = | 16.0 | nM | 7.8 | Inhibition of human recombinant PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate ... | 22248857 |
| Lysosomal Pro-X carboxypeptidase | IC50 | = | 20000.0 | nM | 4.7 | 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