Compound Detail
CHEMBL2425061
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Basic Information
| ChEMBL ID | CHEMBL2425061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFQZPUQRACGEEI-JLBUNGTFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
390.4
MW (Da)
2.94
ALogP
5
HBA
1
HBD
64.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 9.18 | 9.18 | 0.7 | 1 |
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 0.66 | nM | 9.18 | Inhibition of human DPP4 | 23972441 |
| Dipeptidyl peptidase 2 | IC50 | = | 19000.0 | nM | 4.72 | Inhibition of QPP (unknown origin) | 23972441 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23972441 | 10.1016/j.bmcl.2013.07.061 | Canis familiaris | 2 |
| 23972441 | 10.1016/j.bmcl.2013.07.061 | Dipeptidyl peptidase 2 | 1 |
| 23972441 | 10.1016/j.bmcl.2013.07.061 | Rattus norvegicus | 1 |
| 23972441 | 10.1016/j.bmcl.2013.07.061 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 23972441 | 10.1016/j.bmcl.2013.07.061 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine