Compound Detail
CHEMBL4871573
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COc1ccc(NC(=O)C(=O)[C@@H]2CCCN2C(=O)CNC(=O)c2ccnc3ccccc23)cc1
Basic Information
| ChEMBL ID | CHEMBL4871573 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVPFIXRTLJMNOS-NRFANRHFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
460.5
MW (Da)
2.17
ALogP
6
HBA
2
HBD
117.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl endopeptidase FAP CHEMBL4683 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl endopeptidase FAP | IC50 | = | 1.5 | nM | 8.82 | Inhibition of SF-tagged FAP (unknown origin) expressed in Drosophila S2 cells us... | 34371463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34371463 | 10.1016/j.ejmech.2021.113717 | Prolyl endopeptidase FAP | 1 |
| 34371463 | 10.1016/j.ejmech.2021.113717 | CCRF-CEM | 1 |
| 34371463 | 10.1016/j.ejmech.2021.113717 | HepG2 | 1 |
| 34371463 | 10.1016/j.ejmech.2021.113717 | HeLa | 1 |
| 34371463 | 10.1016/j.ejmech.2021.113717 | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine