Compound Detail
CHEMBL4797970
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Basic Information
| ChEMBL ID | CHEMBL4797970 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBCXJKGHPABGSD-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
126.1
MW (Da)
-0.93
ALogP
3
HBA
1
HBD
54.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.18
Ki 1 meas. best 4.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein cereblon CHEMBL3763008 | Ki | 4.51 | 4.51 | 30800.0 | 1 |
| Protein cereblon CHEMBL3763008 | IC50 | 4.18 | 4.18 | 65700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein cereblon | Ki | = | 30800.0 | nM | 4.51 | Binding affinity to human CRBN-thalidomide binding domain expressed in Escherich... | 33488967 |
| Protein cereblon | IC50 | = | 65700.0 | nM | 4.18 | Binding affinity to human CRBN-thalidomide binding domain expressed in Escherich... | 33488967 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33488967 | 10.1021/acsmedchemlett.0c00440 | Protein cereblon | 2 |
Data from ChEMBL 36 via Core Engine