Compound Detail
CHEMBL3890161
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Basic Information
| ChEMBL ID | CHEMBL3890161 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEEYJPHDGQFLMG-JTHBVZDNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
414.4
MW (Da)
4.10
ALogP
4
HBA
1
HBD
47.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.15 | 7.15 | 70.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 70.42 | nM | 7.15 | Inhibition of DPP4 (unknown origin) expressed in Sf9 cells using Gly-Pro-AMC sub... | 27396490 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27396490 | 10.1021/acs.jmedchem.6b00505 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine