Compound Detail
CHEMBL1951474
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
Basic Information
| ChEMBL ID | CHEMBL1951474 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGLYTPBNDLNJIS-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
3
PK Parameters
2
Publications
0
Known Names
Molecular Properties
457.4
MW (Da)
6.70
ALogP
3
HBA
0
HBD
25.4
PSA (Ų)
0.44
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysosomal Pro-X carboxypeptidase CHEMBL1255149 | IC50 | 9.51 | 8.28 | 0.3 | 2 |
| Lysosomal Pro-X carboxypeptidase CHEMBL2335 | IC50 | 9.14 | 9.14 | 0.7 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 31.0 | mL.min-1.kg-1 | Mus musculus |
| F | 22.0 | % | Mus musculus |
| T1/2 | 5.9 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysosomal Pro-X carboxypeptidase | IC50 | = | 0.31 | nM | 9.51 | Inhibition of mouse PrCP | 22264488 |
| Lysosomal Pro-X carboxypeptidase | IC50 | = | 0.73 | nM | 9.14 | Inhibition of human PrCP | 22264488 |
| Lysosomal Pro-X carboxypeptidase | IC50 | = | 90.0 | nM | 7.05 | Inhibition of PrCP in mouse plasma assessed as angiotensin 3 cleavage by whole s... | 22264488 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22264488 | 10.1016/j.bmcl.2012.01.002 | Mus musculus | 5 |
| 22264488 | 10.1016/j.bmcl.2012.01.002 | Lysosomal Pro-X carboxypeptidase | 3 |
Data from ChEMBL 36 via Core Engine