Compound Detail
CHEMBL360167
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CS(=O)(=O)Nc1cccc(NC(=O)CN2CCN(C(=O)C[C@H](N)Cc3ccc(F)c(F)c3)[C@@H](Cc3ccccc3)C2)c1
Basic Information
| ChEMBL ID | CHEMBL360167 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUKARVRQDSPFPB-BVAGGSTKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
599.7
MW (Da)
2.99
ALogP
6
HBA
3
HBD
124.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 2 | IC50 | = | 280.0 | nM | 6.55 | Inhibitory concentration against quiescent cell proline peptidase | 15324904 |
| Dipeptidyl peptidase 4 | IC50 | = | 1100.0 | nM | 5.96 | Inhibitory concentration against Dipeptidylpeptidase IV | 15324904 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15324904 | 10.1016/j.bmcl.2004.06.065 | Dipeptidyl peptidase 4 | 1 |
| 15324904 | 10.1016/j.bmcl.2004.06.065 | Dipeptidyl peptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine