Compound Detail
CHEMBL459643
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Basic Information
| ChEMBL ID | CHEMBL459643 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRTHWUXWVSZWGG-QMMMGPOBSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
185.3
MW (Da)
-0.32
ALogP
3
HBA
2
HBD
72.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 5.01 | 5.01 | 9800.0 | 1 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 2 | IC50 | = | 9800.0 | nM | 5.01 | Inhibition of DPP2 | 18556199 |
| Dipeptidyl peptidase 8 | IC50 | = | 19000.0 | nM | 4.72 | Inhibition of DPP8 | 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