Compound Detail
CHEMBL522002
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Basic Information
| ChEMBL ID | CHEMBL522002 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWKRRCNHGXGMJQ-GJZGRUSLSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
0.76
ALogP
4
HBA
1
HBD
90.4
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 6.53 | 6.53 | 298.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 8 | IC50 | = | 220.0 | nM | 6.66 | Inhibition of DPP8 | 19269819 |
| Dipeptidyl peptidase 4 | IC50 | = | 298.0 | nM | 6.53 | Inhibition of DPP4 | 19269819 |
| Dipeptidyl peptidase 4 | IC50 | = | 298.0 | nM | 6.53 | Inhibition of DPP-4 (unknown origin) | 34428715 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19269819 | 10.1016/j.bmcl.2009.02.061 | Dipeptidyl peptidase 4 | 1 |
| 19269819 | 10.1016/j.bmcl.2009.02.061 | Dipeptidyl peptidase 8 | 1 |
| 19269819 | 10.1016/j.bmcl.2009.02.061 | Dipeptidyl peptidase 2 | 1 |
| 19269819 | 10.1016/j.bmcl.2009.02.061 | Unchecked | 1 |
| 34428715 | 10.1016/j.bmc.2021.116354 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine