Compound Detail
CHEMBL215299
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Basic Information
| ChEMBL ID | CHEMBL215299 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXXJNNWOYBQHCC-BBRMVZONSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
323.9
MW (Da)
2.55
ALogP
3
HBA
2
HBD
58.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 9.21 | 9.21 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 2 | IC50 | = | 0.62 | nM | 9.21 | Inhibition of DPP2 | 16844373 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16844373 | 10.1016/j.bmcl.2006.06.082 | Dipeptidyl peptidase 4 | 1 |
| 16844373 | 10.1016/j.bmcl.2006.06.082 | Dipeptidyl peptidase 2 | 1 |
| 16844373 | 10.1016/j.bmcl.2006.06.082 | Dipeptidyl peptidase 8 | 1 |
| 16844373 | 10.1016/j.bmcl.2006.06.082 | Dipeptidyl peptidase II and dipeptidyl peptidase IV (DPP2 and DPP4) | 1 |
| 16844373 | 10.1016/j.bmcl.2006.06.082 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine