Compound Detail
CHEMBL1214876
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Basic Information
| ChEMBL ID | CHEMBL1214876 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXOXZCSVVMIYCV-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
379.2
MW (Da)
3.65
ALogP
6
HBA
1
HBD
82.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | Ki | 9.4 | 8.8267 | 0.4 | 3 |
| Dipeptidyl peptidase 8 CHEMBL4657 | Ki | 8.72 | 8.565 | 1.9 | 2 |
| Dipeptidyl peptidase 9 CHEMBL4793 | Ki | 8.48 | 8.38 | 3.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | Ki | = | 0.4 | nM | 9.4 | Inhibition of human recombinant DPP4 assessed as Gly-Pro-pNA cleavage | 20684603 |
| Dipeptidyl peptidase 4 | Ki | = | 0.7 | nM | 9.15 | Inhibition of human recombinant DPP4 assessed as Gly-Pro-pNA cleavage | 20684603 |
| Dipeptidyl peptidase 8 | Ki | = | 1.9 | nM | 8.72 | Inhibition of human DPP8 | 20684603 |
| Dipeptidyl peptidase 9 | Ki | = | 3.3 | nM | 8.48 | Inhibition of human DPP9 | 20684603 |
| Dipeptidyl peptidase 8 | Ki | = | 3.9 | nM | 8.41 | Inhibition of human DPP8 | 20684603 |
| Dipeptidyl peptidase 9 | Ki | = | 5.2 | nM | 8.28 | Inhibition of human DPP9 | 20684603 |
| Dipeptidyl peptidase 4 | Ki | = | 11.7 | nM | 7.93 | Inhibition of human recombinant DPP4 assessed as Gly-Pro-pNA cleavage | 20684603 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20684603 | 10.1021/jm100634a | Dipeptidyl peptidase 4 | 3 |
| 20684603 | 10.1021/jm100634a | Dipeptidyl peptidase 8 | 3 |
| 20684603 | 10.1021/jm100634a | Dipeptidyl peptidase 9 | 3 |
| 20684603 | 10.1021/jm100634a | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine