Compound Detail
CHEMBL4161744
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Basic Information
| ChEMBL ID | CHEMBL4161744 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGUIMPOZOGHVRL-KRWDZBQOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
344.5
MW (Da)
2.34
ALogP
4
HBA
3
HBD
75.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Puromycin-sensitive aminopeptidase CHEMBL2264 | IC50 | 4.28 | 4.28 | 53000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Puromycin-sensitive aminopeptidase | IC50 | = | 53000.0 | nM | 4.28 | Inhibition of recombinant human N-terminal His6-MBP-tagged PSA expressed in Esch... | 28803047 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28803047 | 10.1016/j.ejmech.2017.07.048 | Aminopeptidase N | 2 |
| 28803047 | 10.1016/j.ejmech.2017.07.048 | Puromycin-sensitive aminopeptidase | 1 |
| 28803047 | 10.1016/j.ejmech.2017.07.048 | HeLa | 1 |
| 28803047 | 10.1016/j.ejmech.2017.07.048 | Vero | 1 |
| 28803047 | 10.1016/j.ejmech.2017.07.048 | HL-60 | 1 |
| 28803047 | 10.1016/j.ejmech.2017.07.048 | MOLT-4 | 1 |
Data from ChEMBL 36 via Core Engine