Compound Detail
CHEMBL3112959
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Basic Information
| ChEMBL ID | CHEMBL3112959 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQGMAXHFOQLCOJ-JKIUYZKVSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
393.9
MW (Da)
4.58
ALogP
4
HBA
1
HBD
60.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 4.71 | 4.71 | 19400.0 | 1 |
| Dipeptidyl peptidase 9 CHEMBL4793 | IC50 | 4.61 | 4.61 | 24600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of human recombinant DPP4 (39 to 766) | 24439847 |
| Dipeptidyl peptidase 8 | IC50 | = | 19400.0 | nM | 4.71 | Inhibition of human recombinant DPP8 | 24439847 |
| Dipeptidyl peptidase 9 | IC50 | = | 24600.0 | nM | 4.61 | Inhibition of human recombinant DPP9 | 24439847 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24439847 | 10.1016/j.bmcl.2013.12.118 | Unchecked | 2 |
| 24439847 | 10.1016/j.bmcl.2013.12.118 | Dipeptidyl peptidase 9 | 1 |
| 24439847 | 10.1016/j.bmcl.2013.12.118 | Dipeptidyl peptidase 8 | 1 |
| 24439847 | 10.1016/j.bmcl.2013.12.118 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine