Compound Detail
CHEMBL4863606
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
O=C(CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12)NCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL4863606 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GQFKFUJZZLVDEV-QFIPXVFZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
501.5
MW (Da)
0.96
ALogP
6
HBA
3
HBD
137.6
PSA (Ų)
0.37
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl endopeptidase FAP CHEMBL4683 | IC50 | 8.43 | 8.43 | 3.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl endopeptidase FAP | IC50 | = | 3.7 | nM | 8.43 | 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