Compound Detail
CHEMBL1242994
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N#C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](CC(=O)N2CCn3cc(C(F)(F)F)nc3C2)C(=O)N1
Basic Information
| ChEMBL ID | CHEMBL1242994 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYVUWXKLZDSRKI-AVGNSLFASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
438.4
MW (Da)
0.65
ALogP
6
HBA
1
HBD
111.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl endopeptidase FAP CHEMBL4683 | IC50 | 6.19 | 6.19 | 650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl endopeptidase FAP | IC50 | = | 650.0 | nM | 6.19 | Inhibition of human recombinant FAP expressed in Hi5 insect cells | 20718420 |
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 |
Data from ChEMBL 36 via Core Engine