Compound Detail
CHEMBL5993798
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N#C[C@H](Cc1ccc(-c2ccc3c(c2)C2(CCNC2)OC3=O)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2
Basic Information
| ChEMBL ID | CHEMBL5993798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHLOZXJKAUYWCS-YRMZYPIJSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
474.5
MW (Da)
2.54
ALogP
6
HBA
3
HBD
103.2
PSA (Ų)
0.58
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