Compound Detail
CHEMBL5762188
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CCc1c2c(nn1C)C(CC(C)(C)O)OCCCCn1c(C(=O)O)c(CCCOc3cccc4cc(F)ccc34)c3ccc(Cl)c-2c31
Basic Information
| ChEMBL ID | CHEMBL5762188 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URSSGZZZWGELEI-UHFFFAOYSA-N |
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
662.2
MW (Da)
8.27
ALogP
7
HBA
2
HBD
98.7
PSA (Ų)
0.15
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 9.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.39 | 8.5933 | 0.4 | 3 |
| BCL2L1/BAD CHEMBL5169267 | IC50 | 4.96 | 4.8767 | 11000.0 | 3 |
| BCL2/BAD CHEMBL5169266 | IC50 | 4.8 | 4.785 | 15900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.41 | nM | 9.39 | Protein-Protein Interaction Assay: MCL-1/Noxa BH3 Peptide (MCL-1 Assay): The dos... | - |
| Unchecked | IC50 | = | 0.88 | nM | 9.06 | Protein-Protein Interaction Assay: MCL-1/Noxa BH3 Peptide (MCL-1 Assay): The dos... | - |
| Unchecked | IC50 | = | 47.0 | nM | 7.33 | Protein-Protein Interaction Assay: MCL-1/Noxa BH3 Peptide (MCL-1 Assay): The dos... | - |
| BCL2L1/BAD | IC50 | = | 11000.0 | nM | 4.96 | Protein-Protein Interaction Assay: BCL-XL/Bad BH3 Peptide (BCL-XL Assay): The do... | - |
| BCL2L1/BAD | IC50 | = | 14300.0 | nM | 4.84 | Protein-Protein Interaction Assay: BCL-XL/Bad BH3 Peptide (BCL-XL Assay): The do... | - |
| BCL2L1/BAD | IC50 | = | 14700.0 | nM | 4.83 | Protein-Protein Interaction Assay: BCL-XL/Bad BH3 Peptide (BCL-XL Assay): The do... | - |
| BCL2/BAD | IC50 | = | 15900.0 | nM | 4.8 | Protein-Protein Interaction Assay: BCL-2/Bad BH3 Peptide (BCL-2 Assay): The dose... | - |
| BCL2/BAD | IC50 | = | 17000.0 | nM | 4.77 | Protein-Protein Interaction Assay: BCL-2/Bad BH3 Peptide (BCL-2 Assay): The dose... | - |
Data from ChEMBL 36 via Core Engine