Compound Detail
CHEMBL88645
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL88645 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXXGGIYKMYOUPC-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
3.54
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.11
Ki 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aminopeptidase N CHEMBL1907 | Ki | 6.92 | 6.92 | 120.0 | 1 |
| Puromycin-sensitive aminopeptidase CHEMBL2264 | IC50 | 5.11 | 5.11 | 7800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aminopeptidase N | Ki | = | 120.0 | nM | 6.92 | Inhibition of APN (unknown origin) | 29630364 |
| Puromycin-sensitive aminopeptidase | IC50 | = | 7800.0 | nM | 5.11 | Puromycin sensitive aminopeptidase inhibitory activity by the use of L-Ala AMC w... | 12467622 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12467622 | 10.1016/s0960-894x(02)00845-4 | Puromycin-sensitive aminopeptidase | 1 |
| 9464355 | 10.1021/jm970624o | Aminopeptidase N | 1 |
| 9464355 | 10.1021/jm970624o | Dipeptidyl peptidase 4 | 1 |
| 29630364 | 10.1021/acs.jmedchem.7b00782 | Aminopeptidase N | 1 |
Data from ChEMBL 36 via Core Engine