Compound Detail
CHEMBL4847757
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N#Cc1ccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3CN4CCC[C@H]4CN3)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL4847757 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQWJEMPWVHELPK-RJGXRXQPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
2.21
ALogP
5
HBA
2
HBD
92.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 1 CHEMBL2252 | IC50 | 6.41 | 6.41 | 394.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 1 | IC50 | = | 394.0 | nM | 6.41 | Inhibition of human cathepsin C | 34139325 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34139325 | 10.1016/j.bmcl.2021.128202 | Dipeptidyl peptidase 1 | 4 |
Data from ChEMBL 36 via Core Engine