Compound Detail
CHEMBL1201174
SITAGLIPTIN PHOSPHATE 💊 Approved Drug
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💊 Approved Drug
N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F.O.O=P(O)(O)O
Basic Information
| ChEMBL ID | CHEMBL1201174 |
| Name | SITAGLIPTIN PHOSPHATE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | GQPYTJVDPQTBQC-KLQYNRQASA-N |
| Therapeutic | ✓ Yes |
| Parent Compound | CHEMBL1422 |
| Active Moiety | CHEMBL1422 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
20
Known Names
6
Indications
1
Mechanisms
Molecular Properties
407.3
MW (Da)
2.02
ALogP
5
HBA
1
HBD
77.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2006 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Dipeptidyl peptidase IV inhibitor | INHIBITOR | Dipeptidyl peptidase 4 | ✓ | ✓ |
Indications
Diabetes Mellitus, Type 2 Hyperlipidemias Myocardial Infarction Stroke Diabetes Mellitus Renal Insufficiency
Activity Summary
IC50 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of DPP4 (unknown origin) | 38704940 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 32900194 | 10.1021/acs.jmedchem.0c00843 | Rattus norvegicus | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 38704940 | 10.1016/j.ejmech.2024.116464 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine