Compound Detail
CHEMBL231050
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N[C@@H](CC(=O)N1CCn2cc(C(F)(F)F)nc2C1c1ccc(F)cc1)Cc1ccc(F)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL231050 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WETXVMAIYXHWTN-UJONTBEJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
482.4
MW (Da)
4.21
ALogP
4
HBA
1
HBD
64.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 5.86 | 5.86 | 1397.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 1397.0 | nM | 5.86 | 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