Compound Detail
CHEMBL5566777
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C[N+](C)(CF)CCCOc1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1.O=S(=O)([O-])c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL5566777 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJCNQPXUEKAOJB-NTISSMGPSA-N |
| Parent Compound | CHEMBL6070152 |
| Active Moiety | CHEMBL6070152 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
478.5
MW (Da)
2.50
ALogP
5
HBA
1
HBD
95.3
PSA (Ų)
0.34
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl endopeptidase FAP CHEMBL4683 | IC50 | 9.49 | 9.49 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl endopeptidase FAP | IC50 | = | 0.32 | nM | 9.49 | Inhibition of FAP (unknown origin) using Z-Gly-Pro-7-amino-4-methylcoumarine as ... | 38656144 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38656144 | 10.1021/acs.jmedchem.3c02402 | Prolyl endopeptidase FAP | 1 |
| 38656144 | 10.1021/acs.jmedchem.3c02402 | Dipeptidyl peptidase 4 | 1 |
| 38656144 | 10.1021/acs.jmedchem.3c02402 | Dipeptidyl peptidase 8 | 1 |
| 38656144 | 10.1021/acs.jmedchem.3c02402 | Dipeptidyl peptidase 9 | 1 |
| 38656144 | 10.1021/acs.jmedchem.3c02402 | Dipeptidyl peptidase 2 | 1 |
| 38656144 | 10.1021/acs.jmedchem.3c02402 | Prolyl endopeptidase | 1 |
Data from ChEMBL 36 via Core Engine