Compound Detail
CHEMBL367368
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NC(CC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)C(=O)N1Cc2ccccc2C1
Basic Information
| ChEMBL ID | CHEMBL367368 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKIQFLSGMMYCGS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
504.6
MW (Da)
3.46
ALogP
4
HBA
1
HBD
69.9
PSA (Ų)
0.56
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 4.42 | 4.42 | 38377.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 8 | IC50 | = | 14.0 | nM | 7.85 | Inhibitory concentration against dipeptidylpeptidase 8 | 15664838 |
| Dipeptidyl peptidase 2 | IC50 | = | 38377.0 | nM | 4.42 | Inhibitory concentration against dipeptidylpeptidase 2 | 15664838 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28826083 | 10.1016/j.ejmech.2017.08.024 | Dipeptidyl peptidase IV | 3 |
| 15664838 | 10.1016/j.bmcl.2004.11.023 | Dipeptidyl peptidase 4 | 1 |
| 15664838 | 10.1016/j.bmcl.2004.11.023 | Dipeptidyl peptidase 8 | 1 |
| 15664838 | 10.1016/j.bmcl.2004.11.023 | Dipeptidyl peptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine