Compound Detail
CHEMBL3764647
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Basic Information
| ChEMBL ID | CHEMBL3764647 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBGZUKXZFDPDRE-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
288.3
MW (Da)
0.01
ALogP
5
HBA
3
HBD
96.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 4 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cereblon isoform 4 CHEMBL3763007 | Kd | 5.48 | 5.06 | 3300.0 | 2 |
| Protein cereblon CHEMBL3763008 | Kd | 5.1 | 5.1 | 7900.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cereblon isoform 4 | Kd | = | 3300.0 | nM | 5.48 | Binding affinity to wild type Magnetospirillum gryphiswaldense cereblon isoform ... | 26730808 |
| Protein cereblon | Kd | = | 7900.0 | nM | 5.1 | Binding affinity to human CRBN (delta 1 to 315) by FRET assay | 26730808 |
| Unchecked | Kd | = | 16000.0 | nM | 4.8 | Binding affinity to Caenorhabditis elegans CRBN (delta 1 to 15) by FRET assay | 26730808 |
| Cereblon isoform 4 | Kd | = | 22900.0 | nM | 4.64 | Binding affinity to Magnetospirillum gryphiswaldense cereblon isoform 4 Y101F mu... | 26730808 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26730808 | 10.1021/acs.jmedchem.5b01735 | Cereblon isoform 4 | 2 |
| 26730808 | 10.1021/acs.jmedchem.5b01735 | Protein cereblon | 1 |
| 26730808 | 10.1021/acs.jmedchem.5b01735 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine