Compound Detail
CHEMBL5824381
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CN1CCN(Cc2ccc(-c3ccc4nccc(C(=O)NCC(=O)N5CC(F)(F)C[C@H]5C#N)c4c3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL5824381 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRYHNXIBPRLDRB-QHCPKHFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
532.6
MW (Da)
3.14
ALogP
6
HBA
1
HBD
92.6
PSA (Ų)
0.52
QED
1
Ro5 Violations
6
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 9 CHEMBL4793 | 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 9 | IC50 | = | 5500.0 | nM | 5.26 | DPP9 Enzymatic Activity Assay: DPP9 enzymatic activity assay. To assay baseline ... | - |
Data from ChEMBL 36 via Core Engine