Compound Detail
CHEMBL1085598
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Basic Information
| ChEMBL ID | CHEMBL1085598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTDRHIJOQBZZOM-GJZGRUSLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
1.61
ALogP
4
HBA
1
HBD
76.4
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 160.0 | nM | 6.8 | Inhibition of DPP4 | 20483603 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20483603 | 10.1016/j.bmcl.2010.04.124 | Dipeptidyl peptidase 9 | 1 |
| 20483603 | 10.1016/j.bmcl.2010.04.124 | Dipeptidyl peptidase 8 | 1 |
| 20483603 | 10.1016/j.bmcl.2010.04.124 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine