Compound Detail
CHEMBL397057
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Basic Information
| ChEMBL ID | CHEMBL397057 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSAIVORPWCLAMZ-KXUCPTDWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
211.3
MW (Da)
0.06
ALogP
3
HBA
2
HBD
72.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 9.06 | 9.06 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 2 | IC50 | = | 0.88 | nM | 9.06 | Inhibition of human DPP2 | 17055271 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17055271 | 10.1016/j.bmcl.2006.10.012 | Dipeptidyl peptidase 2 | 11 |
| 17055271 | 10.1016/j.bmcl.2006.10.012 | Unchecked | 4 |
| 17055271 | 10.1016/j.bmcl.2006.10.012 | PBMC | 2 |
| 17055271 | 10.1016/j.bmcl.2006.10.012 | Dipeptidyl peptidase 4 | 1 |
| 17055271 | 10.1016/j.bmcl.2006.10.012 | Prolyl endopeptidase FAP | 1 |
| 17055271 | 10.1016/j.bmcl.2006.10.012 | Dipeptidyl peptidase 8 | 1 |
| 17055271 | 10.1016/j.bmcl.2006.10.012 | Dipeptidyl peptidase 9 | 1 |
| 17055271 | 10.1016/j.bmcl.2006.10.012 | Prolyl endopeptidase | 1 |
| 17055271 | 10.1016/j.bmcl.2006.10.012 | Jurkat | 1 |
Data from ChEMBL 36 via Core Engine