Compound Detail
CHEMBL390513
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Basic Information
| ChEMBL ID | CHEMBL390513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFIKATYTXHUVBY-RYUDHWBXSA-N |
4
Targets
5
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
303.4
MW (Da)
0.63
ALogP
6
HBA
2
HBD
81.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.59 | 7.59 | 25.4 | 2 |
| Dipeptidyl peptidase 4 CHEMBL4653 | IC50 | 7.52 | 7.52 | 30.4 | 1 |
| Dipeptidyl peptidase 9 CHEMBL4793 | IC50 | 5.43 | 5.43 | 3735.0 | 1 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 5.32 | 5.32 | 4756.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 83.9 | % | Rattus norvegicus |
| T1/2 | 5.27 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 25.4 | nM | 7.59 | Inhibition of DPP4 in human plasma by fluorescence assay | 17113301 |
| Dipeptidyl peptidase 4 | IC50 | = | 25.4 | nM | 7.59 | Inhibition of human DPP4 | 19217790 |
| Dipeptidyl peptidase 4 | IC50 | = | 30.4 | nM | 7.52 | Inhibition of DPP4 in rat plasma | 19217790 |
| Dipeptidyl peptidase 9 | IC50 | = | 3735.0 | nM | 5.43 | Inhibition of human recombinant DPP9 | 17113301 |
| Dipeptidyl peptidase 8 | IC50 | = | 4756.0 | nM | 5.32 | Inhibition of human recombinant DPP8 | 17113301 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19217790 | 10.1016/j.bmc.2009.01.061 | Dipeptidyl peptidase 4 | 2 |
| 19217790 | 10.1016/j.bmc.2009.01.061 | Rattus norvegicus | 2 |
| 17113301 | 10.1016/j.bmc.2006.10.059 | Dipeptidyl peptidase 4 | 1 |
| 17113301 | 10.1016/j.bmc.2006.10.059 | Dipeptidyl peptidase 8 | 1 |
| 17113301 | 10.1016/j.bmc.2006.10.059 | Dipeptidyl peptidase 9 | 1 |
| 17317162 | 10.1016/j.bmcl.2007.01.110 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine