Compound Detail
CHEMBL233564
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Basic Information
| ChEMBL ID | CHEMBL233564 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTMJMQHWIYCNRI-JKDFXYPNSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
2.87
ALogP
4
HBA
1
HBD
55.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 9.17 | 9.17 | 0.7 | 1 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Prolyl endopeptidase FAP CHEMBL4683 | IC50 | 5.06 | 5.06 | 8800.0 | 1 |
| Dipeptidyl peptidase 9 CHEMBL4793 | IC50 | 4.34 | 4.34 | 45400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 0.67 | nM | 9.17 | Inhibition of DPP4 | 17502141 |
| Dipeptidyl peptidase 8 | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of DPP8 | 17502141 |
| Prolyl endopeptidase FAP | IC50 | = | 8800.0 | nM | 5.06 | Inhibition of FAP | 17502141 |
| Dipeptidyl peptidase 9 | IC50 | = | 45400.0 | nM | 4.34 | Inhibition of DPP9 | 17502141 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17502141 | 10.1016/j.bmcl.2007.04.106 | Dipeptidyl peptidase 4 | 1 |
| 17502141 | 10.1016/j.bmcl.2007.04.106 | Dipeptidyl peptidase 8 | 1 |
| 17502141 | 10.1016/j.bmcl.2007.04.106 | Dipeptidyl peptidase 9 | 1 |
| 17502141 | 10.1016/j.bmcl.2007.04.106 | Dipeptidyl peptidase 2 | 1 |
| 17502141 | 10.1016/j.bmcl.2007.04.106 | Prolyl endopeptidase FAP | 1 |
Data from ChEMBL 36 via Core Engine