Compound Detail
CHEMBL231552
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N[C@@H](CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(F)(F)F)cc1)Cc1ccccc1F
Basic Information
| ChEMBL ID | CHEMBL231552 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCERHNLMUQCEJQ-QUCCMNQESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
451.5
MW (Da)
3.41
ALogP
3
HBA
2
HBD
75.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 6.14 | 6.14 | 731.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 731.0 | nM | 6.14 | Inhibition of DPP4 | 17337342 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17337342 | 10.1016/j.bmcl.2007.02.040 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine