Compound Detail
CHEMBL5409302
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Basic Information
| ChEMBL ID | CHEMBL5409302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PGPDPHWWUDYFET-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
280.3
MW (Da)
1.74
ALogP
5
HBA
1
HBD
89.3
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.87
Ki 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein cereblon CHEMBL3763008 | Ki | 6.3 | 6.3 | 500.0 | 1 |
| KMS-12-PE CHEMBL2366257 | IC50 | 4.87 | 4.87 | 13610.0 | 1 |
| MOLP-8 CHEMBL5308502 | IC50 | 4.8 | 4.8 | 15880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein cereblon | Ki | = | 500.0 | nM | 6.3 | Binding affinity to human CRBN thalidomide binding domain assessed as inhibition... | 36476642 |
| KMS-12-PE | IC50 | = | 13610.0 | nM | 4.87 | Antiproliferative activity against human KMS-12-PE cells assessed as inhibition ... | 36476642 |
| MOLP-8 | IC50 | = | 15880.0 | nM | 4.8 | Antiproliferative activity against human MOLP8 cells assessed as inhibition of c... | 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