Compound Detail
CHEMBL4854083
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Basic Information
| ChEMBL ID | CHEMBL4854083 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNGHEAPDIWGAHE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
5
Publications
0
Known Names
Molecular Properties
375.8
MW (Da)
4.49
ALogP
3
HBA
2
HBD
79.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endoplasmic reticulum aminopeptidase 1 CHEMBL5939 | IC50 | 6.16 | 6.16 | 698.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 25.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 20.0 | mL.min-1.g-1 | Mus musculus |
| CL | 33.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endoplasmic reticulum aminopeptidase 1 | IC50 | = | 698.0 | nM | 6.16 | 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 | ADMET | 4 |
| 34267884 | 10.1021/acsmedchemlett.1c00235 | Endoplasmic reticulum aminopeptidase 1 | 3 |
| 34267884 | 10.1021/acsmedchemlett.1c00235 | Cytochrome P450 3A4 | 2 |
| 34267884 | 10.1021/acsmedchemlett.1c00235 | Endoplasmic reticulum aminopeptidase 2 | 1 |
| 34267884 | 10.1021/acsmedchemlett.1c00235 | Aminopeptidase N | 1 |
Data from ChEMBL 36 via Core Engine