Compound Detail
CHEMBL5287306
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O=C1CCC(N2Cc3c(SCCCCCNc4ncc(C(=O)Nc5ccc(OC(F)(F)Cl)cc5)cc4-c4ccn[nH]4)cccc3C2=O)C(=O)N1
Basic Information
| ChEMBL ID | CHEMBL5287306 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXKNTBLKRRKEBC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
724.2
MW (Da)
6.03
ALogP
9
HBA
4
HBD
158.4
PSA (Ų)
0.05
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 6.25 | 6.25 | 557.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 557.8 | nM | 6.25 | Antiproliferative activity against human K562 cells assessed as inhibition of ce... | 36306539 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36306539 | 10.1016/j.ejmech.2022.114810 | Protein cereblon/BCR/ABL | 2 |
| 36306539 | 10.1016/j.ejmech.2022.114810 | K562 | 1 |
Data from ChEMBL 36 via Core Engine