Compound Detail
CHEMBL381626
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Basic Information
| ChEMBL ID | CHEMBL381626 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBKBWYVWRSDAJC-IUCAKERBSA-N |
2
Targets
6
Activities
2
Assay Types
2
PK Parameters
8
Publications
0
Known Names
Molecular Properties
193.2
MW (Da)
0.25
ALogP
3
HBA
1
HBD
56.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.54
Ki 1 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 8.54 | 8.12 | 2.9 | 4 |
| Dipeptidyl peptidase 4 CHEMBL4653 | IC50 | 8.54 | 8.54 | 2.9 | 1 |
| Dipeptidyl peptidase 4 CHEMBL284 | Ki | 7.66 | 7.66 | 22.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 7.5 | hr | - |
| T1/2 | 1.3 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 2.9 | nM | 8.54 | Inhibitory concentration against human dipeptidylpeptidase IV | 15863294 |
| Dipeptidyl peptidase 4 | IC50 | = | 2.9 | nM | 8.54 | Inhibitory concentration against rat dipeptidylpeptidase IV | 15863294 |
| Dipeptidyl peptidase 4 | IC50 | = | 2.9 | nM | 8.54 | Inhibition of DPP4 in human plasma by fluorescence assay | 17113301 |
| Dipeptidyl peptidase 4 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of human DPP4 | 17292611 |
| Dipeptidyl peptidase 4 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of human DPP4 | 17293118 |
| Dipeptidyl peptidase 4 | Ki | = | 22.0 | nM | 7.66 | In vitro test for inhibitory activity against human dipeptidyl peptidase IV. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15863294 | 10.1016/j.bmcl.2005.03.077 | Dipeptidyl peptidase 4 | 2 |
| 17293118 | 10.1016/j.bmc.2007.01.041 | Dipeptidyl peptidase 4 | 2 |
| - | 10.1016/0960-894X(96)00190-4 | Dipeptidyl peptidase 4 | 1 |
| - | 10.1016/0960-894X(96)00190-4 | ADMET | 1 |
| 16759095 | 10.1021/jm051283e | ADMET | 1 |
| 17113301 | 10.1016/j.bmc.2006.10.059 | Dipeptidyl peptidase 4 | 1 |
| 17292611 | 10.1016/j.bmc.2007.01.033 | Dipeptidyl peptidase 4 | 1 |
| 17292611 | 10.1016/j.bmc.2007.01.033 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine