Compound Detail
CHEMBL2086612
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Basic Information
| ChEMBL ID | CHEMBL2086612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNLAQYMGUSCAEB-ZDUSSCGKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
339.3
MW (Da)
2.34
ALogP
3
HBA
1
HBD
73.2
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.88 | 7.88 | 13.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 13.2 | nM | 7.88 | Inhibition of human DPP4 expressed in baculovirus expression system using Gly-Pr... | 22503246 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22503246 | 10.1016/j.bmcl.2012.03.078 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine