Compound Detail
CHEMBL5404837
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Basic Information
| ChEMBL ID | CHEMBL5404837 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSJXSITYLPIBLC-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
281.3
MW (Da)
0.65
ALogP
4
HBA
1
HBD
80.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.29
Ki 1 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KMS-12-PE CHEMBL2366257 | IC50 | 5.29 | 5.29 | 5170.0 | 1 |
| MOLP-8 CHEMBL5308502 | IC50 | 5.26 | 5.26 | 5520.0 | 1 |
| Protein cereblon CHEMBL3763008 | Ki | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KMS-12-PE | IC50 | = | 5170.0 | nM | 5.29 | Antiproliferative activity against human KMS-12-PE cells assessed as inhibition ... | 36476642 |
| MOLP-8 | IC50 | = | 5520.0 | nM | 5.26 | Antiproliferative activity against human MOLP8 cells assessed as inhibition of c... | 36476642 |
| Protein cereblon | Ki | = | 7000.0 | nM | 5.16 | Binding affinity to human CRBN thalidomide binding domain 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