Compound Detail
CHEMBL5946511
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CCC1OCCCCn2c(C(=O)O)c(CCCOc3cccc4ccccc34)c3ccc(Cl)c(c32)-c2c1nn(C)c2C
Basic Information
| ChEMBL ID | CHEMBL5946511 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRCCZISYAVXKLD-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
586.1
MW (Da)
8.13
ALogP
6
HBA
1
HBD
78.5
PSA (Ų)
0.20
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.0 | 8.14 | 1.0 | 3 |
| BCL2L1/BAD CHEMBL5169267 | IC50 | 4.85 | 4.85 | 14200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1.0 | nM | 9.0 | Protein-Protein Interaction Assay: MCL-1/Noxa BH3 Peptide (MCL-1 Assay): The dos... | - |
| Unchecked | IC50 | = | 1.9 | nM | 8.72 | Protein-Protein Interaction Assay: MCL-1/Noxa BH3 Peptide (MCL-1 Assay): The dos... | - |
| Unchecked | IC50 | = | 200.0 | nM | 6.7 | Protein-Protein Interaction Assay: MCL-1/Noxa BH3 Peptide (MCL-1 Assay): The dos... | - |
| BCL2L1/BAD | IC50 | = | 14200.0 | nM | 4.85 | Protein-Protein Interaction Assay: BCL-XL/Bad BH3 Peptide (BCL-XL Assay): The do... | - |
Data from ChEMBL 36 via Core Engine