Compound Detail
CHEMBL5283049
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Basic Information
| ChEMBL ID | CHEMBL5283049 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJNCDDPHSXBDHZ-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
4.38
ALogP
4
HBA
2
HBD
94.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Ki | 5.75 | 5.18 | 1762.0 | 4 |
| Bcl-2-like protein 1 CHEMBL4625 | Ki | 5.72 | 5.72 | 1911.0 | 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 | = | 1762.0 | nM | 5.75 | fluorescence polarization competition assay (FPCA): Molecular modeling and SILCS... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | Ki | = | 1762.0 | nM | 5.75 | fluorescence polarization competition assay (FPCA): Molecular modeling and SILCS... | - |
| Bcl-2-like protein 1 | Ki | = | 1911.0 | nM | 5.72 | fluorescence polarization competition assay (FPCA): Molecular modeling and SILCS... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | Ki | = | 24700.0 | nM | 4.61 | Inhibition of FITC-labelled BAK BH3 peptide to 6His-MBP tagged recombinant human... | 36760746 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | Ki | = | 24749.0 | nM | 4.61 | fluorescence polarization competition assay (FPCA): Molecular modeling and SILCS... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36760746 | 10.1039/d2md00277a | Induced myeloid leukemia cell differentiation protein Mcl-1 | 1 |
Data from ChEMBL 36 via Core Engine