Compound Detail
CHEMBL1929396
ANAGLIPTIN 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1929396 |
| Name | ANAGLIPTIN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | LDXYBEHACFJIEL-HNNXBMFYSA-N |
2
Targets
3
Activities
1
Assay Types
1
PK Parameters
8
Publications
6
Known Names
1
Indications
1
Mechanisms
Molecular Properties
383.5
MW (Da)
0.65
ALogP
7
HBA
2
HBD
115.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2012 |
| Availability | Unknown |
| 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
Activity Summary
IC50 3 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
| Prolyl endopeptidase FAP CHEMBL4683 | IC50 | 4.14 | 4.14 | 72700.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 5.8 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 3.3 | nM | 8.48 | Inhibition of human DPP4 expressed in Silkworm baculovirus system preincubated f... | 36439976 |
| Prolyl endopeptidase FAP | IC50 | = | 72700.0 | nM | 4.14 | Inhibition of human recombinant FAP expressed in baculovirus-infected Sf9 insect... | 22019046 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 22019046 | 10.1016/j.bmc.2011.09.043 | Dipeptidyl peptidase 2 | 1 |
| 22019046 | 10.1016/j.bmc.2011.09.043 | Prolyl endopeptidase FAP | 1 |
| 29609120 | 10.1016/j.ejmech.2018.03.041 | Homo sapiens | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 36439976 | 10.1039/d2md00206j | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine