Compound Detail
CHEMBL2022530
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Basic Information
| ChEMBL ID | CHEMBL2022530 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJNMDFARAFJSEZ-ZDUSSCGKSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
343.3
MW (Da)
2.33
ALogP
3
HBA
1
HBD
73.2
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.96
Ki 2 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl endopeptidase FAP CHEMBL4683 | Ki | 6.96 | 6.96 | 110.0 | 1 |
| Prolyl endopeptidase FAP CHEMBL5769 | IC50 | 6.96 | 6.96 | 110.0 | 2 |
| Prolyl endopeptidase CHEMBL3202 | IC50 | 5.32 | 5.32 | 4800.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 5.32 | 5.32 | 4800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl endopeptidase FAP | IC50 | = | 110.0 | nM | 6.96 | Inhibition of mouse recombinant FAP expressed in HEK293 cells assessed as pNA re... | 22525314 |
| Prolyl endopeptidase FAP | IC50 | = | 110.0 | nM | 6.96 | Enzymatic Assay: Enzyme activities were determined kinetically in a final volume... | - |
| Prolyl endopeptidase FAP | Ki | = | 110.0 | nM | 6.96 | Inhibition of FAP (unknown origin) | 35797897 |
| Prolyl endopeptidase | IC50 | = | 4840.0 | nM | 5.32 | Inhibition of human recombinant PREP expressed in Escherichia coli assessed as p... | 22525314 |
| Prolyl endopeptidase | IC50 | = | 4800.0 | nM | 5.32 | Enzymatic Assay: Enzyme activities were determined kinetically in a final volume... | - |
| Unchecked | Ki | = | 4800.0 | nM | 5.32 | Inhibition of POP (unknown origin) | 35797897 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22525314 | 10.1016/j.bmcl.2012.03.107 | Prolyl endopeptidase FAP | 1 |
| 22525314 | 10.1016/j.bmcl.2012.03.107 | Prolyl endopeptidase | 1 |
| 22525314 | 10.1016/j.bmcl.2012.03.107 | Unchecked | 1 |
| 22525314 | 10.1016/j.bmcl.2012.03.107 | Dipeptidyl peptidase 2 | 1 |
| 22525314 | 10.1016/j.bmcl.2012.03.107 | Dipeptidyl peptidase 4 | 1 |
| 35797897 | 10.1016/j.ejmech.2022.114543 | Unchecked | 1 |
| 35797897 | 10.1016/j.ejmech.2022.114543 | Prolyl endopeptidase FAP | 1 |
| 35797897 | 10.1016/j.ejmech.2022.114543 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine