Compound Detail
CHEMBL185601
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Basic Information
| ChEMBL ID | CHEMBL185601 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQTLPOATVDIKEY-LLVKDONJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
2.50
ALogP
3
HBA
1
HBD
46.3
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 5.64 | 5.64 | 2263.0 | 1 |
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 4.09 | 4.09 | 82120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 2263.0 | nM | 5.64 | Inhibitory concentration against Dipeptidyl peptidase IV | 15324903 |
| Dipeptidyl peptidase 2 | IC50 | = | 82120.0 | nM | 4.09 | Inhibitory concentration against quiescent cell proline dipeptidase | 15324903 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15324903 | 10.1016/j.bmcl.2004.06.099 | Dipeptidyl peptidase 4 | 1 |
| 15324903 | 10.1016/j.bmcl.2004.06.099 | Dipeptidyl peptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine