Compound Detail
CHEMBL5413097
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Basic Information
| ChEMBL ID | CHEMBL5413097 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SIOFICOBFVEIDG-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
293.3
MW (Da)
1.62
ALogP
5
HBA
1
HBD
72.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.7
Ki 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein cereblon CHEMBL3763008 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
| MOLP-8 CHEMBL5308502 | IC50 | 4.7 | 4.7 | 19830.0 | 1 |
| KMS-12-PE CHEMBL2366257 | IC50 | 4.49 | 4.49 | 32650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein cereblon | Ki | = | 1100.0 | nM | 5.96 | Binding affinity to human CRBN thalidomide binding domain assessed as inhibition... | 36476642 |
| MOLP-8 | IC50 | = | 19830.0 | nM | 4.7 | Antiproliferative activity against human MOLP8 cells assessed as inhibition of c... | 36476642 |
| KMS-12-PE | IC50 | = | 32650.0 | nM | 4.49 | Antiproliferative activity against human KMS-12-PE cells assessed as inhibition ... | 36476642 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36476642 | 10.1016/j.ejmech.2022.114990 | Protein cereblon | 1 |
| 36476642 | 10.1016/j.ejmech.2022.114990 | MOLP-8 | 1 |
| 36476642 | 10.1016/j.ejmech.2022.114990 | KMS-12-PE | 1 |
Data from ChEMBL 36 via Core Engine