Compound Detail
CHEMBL1243374
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Basic Information
| ChEMBL ID | CHEMBL1243374 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSIDTMLTVRFYGR-AWEZNQCLSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
307.4
MW (Da)
2.08
ALogP
3
HBA
1
HBD
73.2
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl endopeptidase FAP CHEMBL4683 | IC50 | 6.21 | 6.21 | 610.0 | 1 |
| Prolyl endopeptidase FAP CHEMBL5769 | IC50 | 6.17 | 6.17 | 670.0 | 1 |
| Prolyl endopeptidase CHEMBL3202 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl endopeptidase FAP | IC50 | = | 610.0 | nM | 6.21 | Inhibition of human recombinant FAP expressed in Hi5 insect cells | 20718420 |
| Prolyl endopeptidase FAP | IC50 | = | 670.0 | nM | 6.17 | Inhibition of mouse recombinant FAP expressed in HEK293 cells assessed as pNA re... | 22525314 |
| Prolyl endopeptidase | IC50 | = | 3300.0 | nM | 5.48 | Inhibition of human recombinant PREP expressed in Escherichia coli assessed as p... | 22525314 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20718420 | 10.1021/jm1002556 | Prolyl endopeptidase FAP | 1 |
| 20718420 | 10.1021/jm1002556 | Dipeptidyl peptidase 8 | 1 |
| 20718420 | 10.1021/jm1002556 | Dipeptidyl peptidase 9 | 1 |
| 20718420 | 10.1021/jm1002556 | Dipeptidyl peptidase 2 | 1 |
| 20718420 | 10.1021/jm1002556 | Dipeptidyl peptidase 4 | 1 |
| 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 |
Data from ChEMBL 36 via Core Engine