Compound Detail
CHEMBL388111
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Basic Information
| ChEMBL ID | CHEMBL388111 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POUYADMPVHGEEI-ZFWWWQNUSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
333.5
MW (Da)
1.32
ALogP
5
HBA
1
HBD
44.8
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 8.32 | 8.32 | 4.8 | 1 |
| Dipeptidyl peptidase 4 CHEMBL4653 | IC50 | 8.21 | 8.21 | 6.1 | 1 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 6.42 | 6.42 | 378.8 | 1 |
| Dipeptidyl peptidase 9 CHEMBL4793 | IC50 | 6.15 | 6.15 | 710.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 4.8 | nM | 8.32 | Inhibition of DPP4 in human plasma by fluorescence assay | 17113301 |
| Dipeptidyl peptidase 4 | IC50 | = | 6.1 | nM | 8.21 | Inhibition of DPP4 in rat plasma by fluorescence assay | 17113301 |
| Dipeptidyl peptidase 8 | IC50 | = | 378.8 | nM | 6.42 | Inhibition of human recombinant DPP8 | 17113301 |
| Dipeptidyl peptidase 9 | IC50 | = | 710.7 | nM | 6.15 | Inhibition of human recombinant DPP9 | 17113301 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17113301 | 10.1016/j.bmc.2006.10.059 | Dipeptidyl peptidase 4 | 2 |
| 17113301 | 10.1016/j.bmc.2006.10.059 | Dipeptidyl peptidase 8 | 1 |
| 17113301 | 10.1016/j.bmc.2006.10.059 | Dipeptidyl peptidase 9 | 1 |
Data from ChEMBL 36 via Core Engine