Compound Detail
CHEMBL4846741
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CC(=O)c1ccccc1S(=O)(=O)c1c(C)c(C(=O)O)n(CCCOc2cc(C)c(Cl)c(C)c2)c1C
Basic Information
| ChEMBL ID | CHEMBL4846741 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PREJIDHOJMIZMU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
518.0
MW (Da)
5.58
ALogP
6
HBA
1
HBD
102.7
PSA (Ų)
0.29
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Ki | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 | Ki | = | 500.0 | nM | 6.3 | Inhibition of FITC-labeled Bak BH3 peptide binding to GST-tagged MCL1 (171 to 32... | 34342996 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34342996 | 10.1021/acs.jmedchem.1c00682 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 1 |
Data from ChEMBL 36 via Core Engine