Compound Detail
CHEMBL460885
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Basic Information
| ChEMBL ID | CHEMBL460885 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWTNFEAOISTJSS-SMOXQLQSSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
225.3
MW (Da)
1.27
ALogP
3
HBA
1
HBD
95.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 4.99 | 4.99 | 10300.0 | 1 |
| Dipeptidyl peptidase 9 CHEMBL4793 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 4.37 | 4.37 | 43000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 8 | IC50 | = | 10300.0 | nM | 4.99 | Inhibition of DPP8 | 18556199 |
| Dipeptidyl peptidase 9 | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of DPP9 | 18556199 |
| Dipeptidyl peptidase 2 | IC50 | = | 43000.0 | nM | 4.37 | Inhibition of DPP2 | 18556199 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18556199 | 10.1016/j.bmcl.2008.05.080 | Dipeptidyl peptidase 8 | 1 |
| 18556199 | 10.1016/j.bmcl.2008.05.080 | Dipeptidyl peptidase 9 | 1 |
| 18556199 | 10.1016/j.bmcl.2008.05.080 | Dipeptidyl peptidase 4 | 1 |
| 18556199 | 10.1016/j.bmcl.2008.05.080 | Dipeptidyl peptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine