Compound Detail
CHEMBL4781018
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Basic Information
| ChEMBL ID | CHEMBL4781018 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDORJWTZVFNEPH-INIZCTEOSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
2.68
ALogP
6
HBA
1
HBD
109.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl endopeptidase FAP CHEMBL4683 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| Prolyl endopeptidase CHEMBL3202 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 4.08 | 4.08 | 82530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl endopeptidase FAP | IC50 | = | 21.0 | nM | 7.68 | Inhibition of FAP (unknown origin) using AMC substrate by fluorometric assay | 33571650 |
| Prolyl endopeptidase | IC50 | = | 51.0 | nM | 7.29 | Inhibition of PREP (unknown origin) using AMC substrate by fluorometric assay | 33571650 |
| Dipeptidyl peptidase 4 | IC50 | = | 82530.0 | nM | 4.08 | Inhibition of DPP4 (unknown origin) using AMC substrate by fluorometric assay | 33571650 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33571650 | 10.1016/j.bmcl.2021.127846 | Prolyl endopeptidase FAP | 1 |
| 33571650 | 10.1016/j.bmcl.2021.127846 | Dipeptidyl peptidase 4 | 1 |
| 33571650 | 10.1016/j.bmcl.2021.127846 | Prolyl endopeptidase | 1 |
| 33571650 | 10.1016/j.bmcl.2021.127846 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine