Compound Detail
CHEMBL5863326
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Cn1ccc2cc(-c3ccc4nccc(C(=O)NCC(=O)N5CC(F)(F)C[C@H]5C#N)c4c3)ccc21
Basic Information
| ChEMBL ID | CHEMBL5863326 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPUYDJKNRATMDJ-IBGZPJMESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
473.5
MW (Da)
3.88
ALogP
5
HBA
1
HBD
91.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 5500.0 | nM | 5.26 | DPPIV Enzymatic Activity Assay: DPPIV enzymatic activity assay. To assay baselin... | - |
Data from ChEMBL 36 via Core Engine