Compound Detail
CHEMBL5288359
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Basic Information
| ChEMBL ID | CHEMBL5288359 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQLSOYSLAVZLOS-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
472.0
MW (Da)
5.59
ALogP
4
HBA
1
HBD
83.9
PSA (Ų)
0.52
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Ki | 6.48 | 6.02 | 332.0 | 2 |
| Bcl-2-like protein 1 CHEMBL4625 | Ki | 5.45 | 5.45 | 3560.0 | 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 | = | 332.0 | nM | 6.48 | fluorescence polarization competition assay (FPCA): Molecular modeling and SILCS... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | Ki | = | 2730.0 | nM | 5.56 | Binding affinity to MCL-1 (unknown origin) assessed as inhibition constant | 36760746 |
| Bcl-2-like protein 1 | Ki | = | 3560.0 | nM | 5.45 | Binding affinity to BCL-xL (unknown origin) assessed as inhibition constant | 36760746 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36760746 | 10.1039/d2md00277a | Bcl-2-like protein 1 | 1 |
| 36760746 | 10.1039/d2md00277a | Induced myeloid leukemia cell differentiation protein Mcl-1 | 1 |
Data from ChEMBL 36 via Core Engine