Compound Detail
CHEMBL5542691
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CCC1CC/C=C/C(O)C2CCC2CN2CC3(CCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS1(=O)=O
Basic Information
| ChEMBL ID | CHEMBL5542691 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDGLJLODQFERPU-GQCTYLIASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
585.2
MW (Da)
5.00
ALogP
6
HBA
2
HBD
95.9
PSA (Ų)
0.46
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Ki | 10.3 | 10.3 | 0.1 | 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 | = | 0.05 | nM | 10.3 | Binding affinity to Mcl-1 (unknown origin) assessed as inhibition constant | 38597264 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38597264 | 10.1021/acs.jmedchem.3c01998 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 1 |
Data from ChEMBL 36 via Core Engine