Compound Detail
CHEMBL377776
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Basic Information
| ChEMBL ID | CHEMBL377776 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDUYJOAVSBIXIG-ZBEGNZNMSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
382.3
MW (Da)
2.44
ALogP
3
HBA
1
HBD
52.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 6.84 | 6.84 | 144.0 | 1 |
| Prolyl endopeptidase FAP CHEMBL4683 | IC50 | 5.29 | 5.29 | 5129.0 | 1 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 4.91 | 4.91 | 12210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 144.0 | nM | 6.84 | Inhibition of DPP4 | 16581245 |
| Prolyl endopeptidase FAP | IC50 | = | 5129.0 | nM | 5.29 | Inhibition of FAP | 16581245 |
| Dipeptidyl peptidase 8 | IC50 | = | 12210.0 | nM | 4.91 | Inhibition of DPP8 | 16581245 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16581245 | 10.1016/j.bmcl.2006.03.037 | Dipeptidyl peptidase 4 | 1 |
| 16581245 | 10.1016/j.bmcl.2006.03.037 | Dipeptidyl peptidase 8 | 1 |
| 16581245 | 10.1016/j.bmcl.2006.03.037 | Dipeptidyl peptidase 2 | 1 |
| 16581245 | 10.1016/j.bmcl.2006.03.037 | Prolyl endopeptidase FAP | 1 |
Data from ChEMBL 36 via Core Engine