Compound Detail
CHEMBL4561264
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CS[C@@H]1CN[C@H](C(=O)N[C@H](C#N)Cc2ccc(-c3ccc(C#N)cc3)cc2)C1
Basic Information
| ChEMBL ID | CHEMBL4561264 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZOKEGHUJKJWFT-ACRUOGEOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
2.87
ALogP
5
HBA
2
HBD
88.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 1 CHEMBL2252 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 1 | IC50 | = | 0.3981 | nM | 9.4 | Inhibition of recombinant human DPPI using H-Gly-Arg-AFC as substrate preincubat... | 31413809 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31413809 | 10.1021/acsmedchemlett.9b00261 | Dipeptidyl peptidase 1 | 1 |
Data from ChEMBL 36 via Core Engine