Compound Detail
CHEMBL280658
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Basic Information
| ChEMBL ID | CHEMBL280658 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICOHSUPELKBBLT-JTQLQIEISA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
246.3
MW (Da)
1.76
ALogP
2
HBA
1
HBD
46.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.14
Ki 1 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | Ki | 7.55 | 7.55 | 28.0 | 1 |
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.14 | 7.14 | 73.0 | 2 |
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | Ki | = | 28.0 | nM | 7.55 | Inhibitory constant against Dipeptidylpeptidase IV activity | 16115768 |
| Dipeptidyl peptidase 4 | IC50 | = | 73.0 | nM | 7.14 | Inhibitory activity against human Dipeptidylpeptidase IV | 14980678 |
| Dipeptidyl peptidase 4 | IC50 | = | 73.0 | nM | 7.14 | Inhibition of human DPP4 expressed in baculovirus system | 18207285 |
| Dipeptidyl peptidase 2 | IC50 | = | 1900.0 | nM | 5.72 | Inhibitory activity against human quiescent cell proline dipeptidase (QPP) enzym... | 14980678 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14980678 | 10.1016/j.bmcl.2003.12.040 | Dipeptidyl peptidase 4 | 1 |
| 14980678 | 10.1016/j.bmcl.2003.12.040 | Dipeptidyl peptidase 2 | 1 |
| 14980678 | 10.1016/j.bmcl.2003.12.040 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 16115768 | 10.1016/j.bmcl.2005.07.026 | Dipeptidyl peptidase 4 | 1 |
| 16115768 | 10.1016/j.bmcl.2005.07.026 | Mus musculus | 1 |
| 18207285 | 10.1016/j.ejmech.2007.11.014 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine