Compound Detail
CHEMBL4855147
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Basic Information
| ChEMBL ID | CHEMBL4855147 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMOQOQZWZROEFZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
421.4
MW (Da)
4.99
ALogP
3
HBA
2
HBD
79.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endoplasmic reticulum aminopeptidase 1 CHEMBL5939 | IC50 | 5.79 | 5.79 | 1620.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endoplasmic reticulum aminopeptidase 1 | IC50 | = | 1620.0 | nM | 5.79 | Inhibition of wild type ERAP1 (unknown origin) using L-Rho-Succ-FKARKF as substr... | 34267884 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34267884 | 10.1021/acsmedchemlett.1c00235 | Endoplasmic reticulum aminopeptidase 1 | 3 |
| 34267884 | 10.1021/acsmedchemlett.1c00235 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine