Compound Detail
CHEMBL304572
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Basic Information
| ChEMBL ID | CHEMBL304572 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WENKGSGGXGQHSH-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
10
PK Parameters
14
Publications
0
Known Names
Molecular Properties
244.2
MW (Da)
0.45
ALogP
3
HBA
1
HBD
66.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein cereblon CHEMBL3763008 | IC50 | 6.26 | 6.2333 | 550.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 6.1 | mL.min-1.kg-1 | Homo sapiens |
| CL | 9.6 | mL.min-1.kg-1 | Homo sapiens |
| F | 220.0 | % | Homo sapiens |
| Fu | 1.0 | - | Homo sapiens |
| T1/2 | 3.1 | hr | Homo sapiens |
| T1/2 | 1.983 | hr | Homo sapiens |
| T1/2 | 1.983 | hr | Homo sapiens |
| T1/2 | 1.983 | hr | Homo sapiens |
| T1/2 | 2.417 | hr | Homo sapiens |
| T1/2 | 3.617 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein cereblon | IC50 | = | 550.0 | nM | 6.26 | Inhibition of N-terminal fused Nano Luc CRBN in HEK293T cells by NanoBRET CRBN e... | 38389883 |
| Protein cereblon | IC50 | = | 605.0 | nM | 6.22 | Displacement of fluorescent tracer from NanoLuc-tagged CRBN (unknown origin) by ... | 36970148 |
| Protein cereblon | IC50 | = | 605.0 | nM | 6.22 | Displacement of BODIPY-lenalidomide from human N-terminal NanoLuc-fused CRBN exp... | 37974938 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34795877 | 10.1021/acsmedchemlett.1c00475 | ADMET | 7 |
| 37974938 | 10.1021/acsmedchemlett.3c00371 | ADMET | 5 |
| 36325394 | 10.1039/d2md00258b | ADMET | 3 |
| 12930142 | 10.1021/jm020079d | Rattus norvegicus | 2 |
| 34795877 | 10.1021/acsmedchemlett.1c00475 | No relevant target | 2 |
| 36970148 | 10.1039/d2md00347c | Cereblon/Ikaros | 2 |
| 38389883 | 10.1039/d3md00652b | DNA-binding protein Ikaros | 2 |
| 15084120 | 10.1021/jm0304820 | Rattus norvegicus | 1 |
| 34795877 | 10.1021/acsmedchemlett.1c00475 | Cereblon/Ikaros | 1 |
| 36970148 | 10.1039/d2md00347c | Protein cereblon | 1 |
| 36970148 | 10.1039/d2md00347c | Protein cereblon/GSPT1 | 1 |
| 37974938 | 10.1021/acsmedchemlett.3c00371 | Protein cereblon | 1 |
| 37974938 | 10.1021/acsmedchemlett.3c00371 | MOLT-4 | 1 |
| 38389883 | 10.1039/d3md00652b | Protein cereblon | 1 |
Data from ChEMBL 36 via Core Engine