Compound Detail
CHEMBL5904309
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Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCN1CCN(C(=O)CCCCCNC(=O)COc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)c1nnc(C)n1-2
Basic Information
| ChEMBL ID | CHEMBL5904309 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMNJUXRTSGUSFM-CDRRMRQFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
953.5
MW (Da)
4.00
ALogP
14
HBA
3
HBD
217.6
PSA (Ų)
0.10
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein cereblon/DNA damage-binding protein 1 CHEMBL4630734 | IC50 | 8.8 | 8.8 | 1.6 | 1 |
| Protein cereblon/DNA damage-binding protein 1/Bromodomain-containing protein 4 CHEMBL4296145 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein cereblon/DNA damage-binding protein 1 | IC50 | = | 1.57 | nM | 8.8 | CRBN-DDB1 ligand-displacement AlphaScreen Assay: A thalidomide competition Alpha... | - |
| Protein cereblon/DNA damage-binding protein 1/Bromodomain-containing protein 4 | IC50 | = | 11.0 | nM | 7.96 | CRBN-DDB1/BRD4 Dimerization Assay: AlphaScreen technology was used to detect CRB... | - |
Data from ChEMBL 36 via Core Engine