Compound Detail
CHEMBL480716
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N#Cc1ccc(N2CCC(NCC(=O)N3C[C@@H](F)C[C@H]3C#N)CC2)c(C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL480716 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOSVSQIORWPERB-HOCLYGCPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
423.4
MW (Da)
2.60
ALogP
5
HBA
1
HBD
83.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | Ki | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | Ki | = | 5.0 | nM | 8.3 | Inhibition of human plasma DPP4 | 18602260 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18602260 | 10.1016/j.bmcl.2008.05.101 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine