Compound Detail
CHEMBL138968
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Basic Information
| ChEMBL ID | CHEMBL138968 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNHAYKILFVSZGC-AWEZNQCLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
2.09
ALogP
3
HBA
2
HBD
75.0
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tripeptidyl-peptidase 2 CHEMBL4675 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tripeptidyl-peptidase 2 | IC50 | = | 46.0 | nM | 7.34 | Inhibition of Tripeptidyl-peptidase II purified from a rat liver post-lysosomal ... | 14643348 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14643348 | 10.1016/j.bmcl.2003.09.014 | Tripeptidyl-peptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine