Compound Detail
CHEMBL184738
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N[C@@H](CC(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1OCC(=O)NC1CC1)Cc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL184738 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FEFCYNYYEURJOF-GGAORHGYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
513.0
MW (Da)
2.56
ALogP
5
HBA
3
HBD
113.8
PSA (Ų)
0.43
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 5.72 | 5.72 | 1900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 1900.0 | nM | 5.72 | Inhibitory concentration against Dipeptidyl peptidase IV | 15324903 |
| Dipeptidyl peptidase 4 | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of DPP-4 (unknown origin) | 37647598 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15324903 | 10.1016/j.bmcl.2004.06.099 | Dipeptidyl peptidase 4 | 1 |
| 17567120 | 10.1021/jm0700316 | Dipeptidyl peptidase 4 | 1 |
| 17567120 | 10.1021/jm0700316 | Dipeptidyl peptidase 8 | 1 |
| 17567120 | 10.1021/jm0700316 | Dipeptidyl peptidase 9 | 1 |
| 17567120 | 10.1021/jm0700316 | Dipeptidyl peptidase 2 | 1 |
| 17567120 | 10.1021/jm0700316 | Prolyl endopeptidase | 1 |
| 17567120 | 10.1021/jm0700316 | Prolyl endopeptidase FAP | 1 |
| 37647598 | 10.1021/acs.jmedchem.3c00412 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine