Compound Detail
CHEMBL3763941
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Basic Information
| ChEMBL ID | CHEMBL3763941 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNCYXPMJDCCGSJ-UHFFFAOYSA-N |
3
Targets
11
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
113.1
MW (Da)
-0.19
ALogP
2
HBA
1
HBD
46.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 4.56
IC50 4 meas. best 4.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cereblon isoform 4 CHEMBL3763007 | Ki | 4.56 | 4.555 | 27800.0 | 2 |
| Protein cereblon CHEMBL3763008 | Ki | 4.55 | 4.29 | 28000.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 4.36 | 4.36 | 43800.0 | 1 |
| Cereblon isoform 4 CHEMBL3763007 | IC50 | 4.31 | 4.31 | 48900.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.3 | 4.3 | 50600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cereblon isoform 4 | Ki | = | 27800.0 | nM | 4.56 | Inhibition of MANT-uracil binding to wild type Magnetospirillum gryphiswaldense ... | 26730808 |
| Cereblon isoform 4 | Ki | = | 28000.0 | nM | 4.55 | Inhibition of MANT-uracil binding to wild-type Magnetospirillum gryphiswaldense ... | 31251063 |
| Protein cereblon | Ki | = | 28000.0 | nM | 4.55 | Binding affinity to CRBN (unknown origin) assessed as inhibition constant by FRE... | 36821822 |
| Unchecked | Ki | = | 43800.0 | nM | 4.36 | Inhibition of MANT-uracil binding to Caenorhabditis elegans CRBN (delta 1 to 15)... | 26730808 |
| Cereblon isoform 4 | IC50 | = | 48900.0 | nM | 4.31 | Inhibition of MANT-uracil binding to wild type Magnetospirillum gryphiswaldense ... | 26730808 |
| Unchecked | IC50 | = | 50600.0 | nM | 4.3 | Inhibition of MANT-uracil binding to Caenorhabditis elegans CRBN (delta 1 to 15)... | 26730808 |
| Protein cereblon | Ki | = | 92500.0 | nM | 4.03 | Binding affinity to human CRBN TBD assessed as inhibition constant using BODIPY-... | 38552426 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26730808 | 10.1021/acs.jmedchem.5b01735 | Cereblon isoform 4 | 4 |
| 26730808 | 10.1021/acs.jmedchem.5b01735 | Protein cereblon | 2 |
| 26730808 | 10.1021/acs.jmedchem.5b01735 | Unchecked | 2 |
| 31251063 | 10.1021/acs.jmedchem.9b00454 | Cereblon isoform 4 | 1 |
| 36821822 | 10.1021/acs.jmedchem.2c01882 | Protein cereblon | 1 |
| 38552426 | 10.1016/j.ejmech.2024.116328 | Protein cereblon | 1 |
Data from ChEMBL 36 via Core Engine