Compound Detail
CHEMBL193106
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Basic Information
| ChEMBL ID | CHEMBL193106 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXYQORMYEGIIIL-UBFHEZILSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
356.5
MW (Da)
1.60
ALogP
4
HBA
2
HBD
99.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 6.52 | 6.52 | 305.0 | 1 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 5.8 | 5.8 | 1597.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 305.0 | nM | 6.52 | Inhibitory concentration against Dipeptidylpeptidase IV [DPP-IV] | 15927466 |
| Dipeptidyl peptidase 8 | IC50 | = | 1597.0 | nM | 5.8 | Inhibitory concentration against Dipeptidylpeptidase 8 | 15927466 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15927466 | 10.1016/j.bmcl.2005.04.051 | Dipeptidyl peptidase 4 | 1 |
| 15927466 | 10.1016/j.bmcl.2005.04.051 | Dipeptidyl peptidase 8 | 1 |
Data from ChEMBL 36 via Core Engine