Compound Detail
CHEMBL1214944
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Basic Information
| ChEMBL ID | CHEMBL1214944 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKQAIAUZISXSET-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
434.3
MW (Da)
3.38
ALogP
6
HBA
2
HBD
94.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 9 CHEMBL4793 | Ki | 8.82 | 8.82 | 1.5 | 1 |
| Dipeptidyl peptidase 8 CHEMBL4657 | Ki | 8.66 | 8.66 | 2.2 | 1 |
| Dipeptidyl peptidase 4 CHEMBL284 | Ki | 8.51 | 8.51 | 3.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 9 | Ki | = | 1.5 | nM | 8.82 | Inhibition of human DPP9 | 20684603 |
| Dipeptidyl peptidase 8 | Ki | = | 2.2 | nM | 8.66 | Inhibition of human DPP8 | 20684603 |
| Dipeptidyl peptidase 4 | Ki | = | 3.1 | nM | 8.51 | 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 | 1 |
| 20684603 | 10.1021/jm100634a | Dipeptidyl peptidase 8 | 1 |
| 20684603 | 10.1021/jm100634a | Dipeptidyl peptidase 9 | 1 |
Data from ChEMBL 36 via Core Engine