Compound Detail
CHEMBL515597
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Basic Information
| ChEMBL ID | CHEMBL515597 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFPBATBPZPEUGZ-HOCLYGCPSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
405.4
MW (Da)
1.55
ALogP
6
HBA
1
HBD
64.8
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 8.09 | 8.09 | 8.2 | 1 |
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 5.65 | 5.65 | 2260.0 | 1 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 5.58 | 5.58 | 2660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 8.2 | nM | 8.09 | Inhibition of human recombinant DPP4 | 19275964 |
| Dipeptidyl peptidase 2 | IC50 | = | 2260.0 | nM | 5.65 | Inhibition of human recombinant DPP2 | 19275964 |
| Dipeptidyl peptidase 8 | IC50 | = | 2660.0 | nM | 5.58 | Inhibition of human recombinant DPP8 | 19275964 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19275964 | 10.1016/j.bmcl.2009.02.041 | MDCK | 2 |
| 19275964 | 10.1016/j.bmcl.2009.02.041 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 19275964 | 10.1016/j.bmcl.2009.02.041 | Dipeptidyl peptidase 4 | 1 |
| 19275964 | 10.1016/j.bmcl.2009.02.041 | Dipeptidyl peptidase 2 | 1 |
| 19275964 | 10.1016/j.bmcl.2009.02.041 | Dipeptidyl peptidase 8 | 1 |
Data from ChEMBL 36 via Core Engine