Compound Detail
CHEMBL365441
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O=C(c1nc2ccccc2s1)[C@@H]1CCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1
Basic Information
| ChEMBL ID | CHEMBL365441 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPXMXPNQGMHBDU-SDADXPQNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
369.5
MW (Da)
3.00
ALogP
5
HBA
1
HBD
62.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 80.0 | nM | 7.1 | Inhibitory concentration against dipeptidyl peptidase IV | 15482928 |
| Dipeptidyl peptidase 4 | IC50 | = | 80.0 | nM | 7.1 | Inhibition of human recombinant DPP4 | 18053726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15482928 | 10.1016/j.bmcl.2004.08.057 | Unchecked | 1 |
| 18053726 | 10.1016/j.bmc.2007.11.015 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine