Compound Detail
CHEMBL5842574
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CN1CCC2(CCc3ccc(-c4ccc(C[C@@H](C#N)NC(=O)[C@H]5N[C@@H]6CC[C@H]5C6)c(F)c4)cc32)CC1
Basic Information
| ChEMBL ID | CHEMBL5842574 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPILZBCBUNFEJW-GIBNYFNHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
486.6
MW (Da)
4.09
ALogP
4
HBA
2
HBD
68.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 1 CHEMBL2252 | IC50 | 9.3 | 9.3 | 0.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 1 | IC50 | = | 0.5 | nM | 9.3 | Inhibition of Human DPPI (Cathepsin C): The recombinant human DPPI was diluted i... | - |
| Dipeptidyl peptidase 1 | IC50 | = | 0.5 | nM | 9.3 | Inhibition of Human DPPI: Assay conditions: The recombinant human DPPI was dilut... | - |
Data from ChEMBL 36 via Core Engine