Compound Detail
CHEMBL201753
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CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)CCNCC(=O)N3CCC[C@H]3C#N)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL201753 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEJZQAMISBJAEB-IBGZPJMESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
490.6
MW (Da)
-0.03
ALogP
7
HBA
2
HBD
142.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 5.85 | 5.85 | 1418.0 | 1 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 5.47 | 5.47 | 3416.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 1418.0 | nM | 5.85 | Inhibitory activity against DPP4 | 16392822 |
| Dipeptidyl peptidase 8 | IC50 | = | 3416.0 | nM | 5.47 | Inhibitory activity against DPP8 | 16392822 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16392822 | 10.1021/jm0507781 | Dipeptidyl peptidase 4 | 1 |
| 16392822 | 10.1021/jm0507781 | Dipeptidyl peptidase 8 | 1 |
| 16392822 | 10.1021/jm0507781 | Dipeptidyl peptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine