Compound Detail
CHEMBL427261
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Basic Information
| ChEMBL ID | CHEMBL427261 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUMFFVRFHUQYEC-LLVKDONJSA-N |
2
Targets
3
Activities
1
Assay Types
4
PK Parameters
5
Publications
0
Known Names
Molecular Properties
405.8
MW (Da)
2.39
ALogP
5
HBA
1
HBD
77.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.68 | 7.68 | 21.0 | 2 |
| Dipeptidyl peptidase 9 CHEMBL4793 | IC50 | 4.01 | 4.01 | 98000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 0.18 | uM.hr.Kg/mg | Rattus norvegicus |
| CL | 99.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 43.0 | % | Rattus norvegicus |
| T1/2 | 1.7 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 21.0 | nM | 7.68 | Inhibition of DPP4 | 17337342 |
| Dipeptidyl peptidase 4 | IC50 | = | 21.0 | nM | 7.68 | Inhibition of DPP4 activity | 17434732 |
| Dipeptidyl peptidase 9 | IC50 | = | 98000.0 | nM | 4.01 | Inhibition of DPP9 activity | 17434732 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17434732 | 10.1016/j.bmcl.2007.03.098 | Rattus norvegicus | 4 |
| 17337342 | 10.1016/j.bmcl.2007.02.040 | Dipeptidyl peptidase 4 | 1 |
| 17434732 | 10.1016/j.bmcl.2007.03.098 | Dipeptidyl peptidase 4 | 1 |
| 17434732 | 10.1016/j.bmcl.2007.03.098 | Dipeptidyl peptidase 9 | 1 |
| 17434732 | 10.1016/j.bmcl.2007.03.098 | Dipeptidyl peptidase 8 | 1 |
Data from ChEMBL 36 via Core Engine