Compound Detail
CHEMBL448735
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 | CHEMBL448735 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXEDNWSUKCJLLB-LURJTMIESA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
133.3
MW (Da)
1.29
ALogP
2
HBA
2
HBD
26.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.1
Ki 1 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aminopeptidase N CHEMBL1907 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.1 | 8.05 | 8.0 | 2 |
| Aminopeptidase N CHEMBL2590 | Ki | 7.66 | 7.66 | 22.0 | 1 |
| Endoplasmic reticulum aminopeptidase 1 CHEMBL5939 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Endoplasmic reticulum aminopeptidase 2 CHEMBL5043 | IC50 | 6.21 | 6.21 | 610.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 8.0 | nM | 8.1 | Inhibition of C-terminal Hexa-histidine-tagged human recombinant IRAP expressed ... | 39011823 |
| Aminopeptidase N | IC50 | = | 8.0 | nM | 8.1 | Inhibition of FLAG-tagged human recombinant Aminopeptidase N | 39011823 |
| Unchecked | IC50 | = | 10.0 | nM | 8.0 | Inhibition of partially purified soluble aminopeptidase from rat brain | 3184127 |
| Aminopeptidase N | Ki | = | 22.0 | nM | 7.66 | Inhibition of pig kidney Aminopeptidase N | 10386926 |
| Endoplasmic reticulum aminopeptidase 1 | IC50 | = | 110.0 | nM | 6.96 | Inhibition of C-terminal Hexa-histidine-tagged human recombinant ERAP1 expressed... | 39011823 |
| Endoplasmic reticulum aminopeptidase 2 | IC50 | = | 610.0 | nM | 6.21 | Inhibition of C-terminal Hexa-histidine-tagged human recombinant ERAP2 expressed... | 39011823 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3184127 | 10.1021/jm00119a023 | Unchecked | 1 |
| 10386926 | 10.1016/s0960-894x(99)00236-x | Aminopeptidase N | 1 |
| 31841350 | 10.1021/acs.jmedchem.9b00293 | Endoplasmic reticulum aminopeptidase 1 | 1 |
| 31841350 | 10.1021/acs.jmedchem.9b00293 | Antigen peptide transporter 1/2 | 1 |
| 39011823 | 10.1021/acs.jmedchem.4c00840 | Endoplasmic reticulum aminopeptidase 1 | 1 |
| 39011823 | 10.1021/acs.jmedchem.4c00840 | Endoplasmic reticulum aminopeptidase 2 | 1 |
| 39011823 | 10.1021/acs.jmedchem.4c00840 | Unchecked | 1 |
| 39011823 | 10.1021/acs.jmedchem.4c00840 | Aminopeptidase N | 1 |
Data from ChEMBL 36 via Core Engine