Compound Detail
CHEMBL4852847
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Cc1cc(OCCCn2c(C)c(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(C)c2C(=O)O)cc(C)c1Cl
Basic Information
| ChEMBL ID | CHEMBL4852847 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQQPMDQMQDNKBO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
521.0
MW (Da)
5.28
ALogP
7
HBA
1
HBD
128.7
PSA (Ų)
0.23
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Ki | 6.38 | 6.38 | 420.0 | 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 | = | 420.0 | nM | 6.38 | 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