Compound Detail
CHEMBL4572428
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Cc1nnc2n1Cc1sc(C#Cc3cnn(CCCC#Cc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)c3)c(Cc3ccccc3)c1OC2
Basic Information
| ChEMBL ID | CHEMBL4572428 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YASDSJZYJJDBIQ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
695.8
MW (Da)
4.37
ALogP
10
HBA
1
HBD
124.2
PSA (Ų)
0.16
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 10.49
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RS4-11 | IC50 | = | 0.032 | nM | 10.49 | Growth inhibition of human RS4:11 cells after 96 hrs by CCK8 assay | 30019901 |
| MOLM-13 | IC50 | = | 0.062 | nM | 10.21 | Growth inhibition of human MOLM13 cells after 96 hrs by CCK8 assay | 30019901 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30019901 | 10.1021/acs.jmedchem.8b00506 | ADMET | 24 |
| 30019901 | 10.1021/acs.jmedchem.8b00506 | MV4-11 | 11 |
| 30019901 | 10.1021/acs.jmedchem.8b00506 | RS4-11 | 11 |
| 30019901 | 10.1021/acs.jmedchem.8b00506 | MOLM-13 | 7 |
| 30019901 | 10.1021/acs.jmedchem.8b00506 | Protein cereblon/Cullin-4A/Bromodomain-containing protein 3 | 6 |
| 30019901 | 10.1021/acs.jmedchem.8b00506 | Protein cereblon/Cullin-4A/Bromodomain-containing protein 4 | 6 |
| 30019901 | 10.1021/acs.jmedchem.8b00506 | Protein cereblon/Cullin-4A/Bromodomain-containing protein 2 | 6 |
| 30019901 | 10.1021/acs.jmedchem.8b00506 | Mus musculus | 5 |
| 30019901 | 10.1021/acs.jmedchem.8b00506 | Protein cereblon/Cullin-4A/GSPT1 | 2 |
Data from ChEMBL 36 via Core Engine