Compound Detail
CHEMBL4297435
RETAGLIPTIN 🧪 Phase III
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🧪 Phase III
COC(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)CC2
Basic Information
| ChEMBL ID | CHEMBL4297435 |
| Name | RETAGLIPTIN |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | WIIAMRXFUJLYEF-SNVBAGLBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
3
Known Names
2
Indications
Molecular Properties
464.4
MW (Da)
2.41
ALogP
6
HBA
1
HBD
90.5
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Diabetes Mellitus, Type 2 Renal Insufficiency
Activity Summary
IC50 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of DPP-4 (unknown origin) | 37647598 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37647598 | 10.1021/acs.jmedchem.3c00412 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine