Compound Detail
CHEMBL5892724
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Cc1c2c(nn1C)CN(CC(F)(F)F)CCCCn1c(C(=O)O)c(CCCOc3cccc4cc(F)ccc34)c3ccc(Cl)c-2c31
Basic Information
| ChEMBL ID | CHEMBL5892724 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFZZMGINSPWQEQ-UHFFFAOYSA-N |
2
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
657.1
MW (Da)
8.16
ALogP
6
HBA
1
HBD
72.5
PSA (Ų)
0.14
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.82 | 8.244 | 1.5 | 5 |
| BCL2L1/BAD CHEMBL5169267 | IC50 | 4.85 | 4.79 | 14000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1.5 | nM | 8.82 | MCL-1/Noxa BH3 Peptide (MCL-1 Assay): The dose-dependent inhibition by the compo... | - |
| Unchecked | IC50 | = | 1.5 | nM | 8.82 | MCL-1/Noxa BH3 Peptide (MCL-1 Assay): The dose-dependent inhibition by the compo... | - |
| Unchecked | IC50 | = | 2.3 | nM | 8.64 | MCL-1/Noxa BH3 Peptide (MCL-1 Assay): The dose-dependent inhibition by the compo... | - |
| Unchecked | IC50 | = | 23.0 | nM | 7.64 | MCL-1/Noxa BH3 Peptide (MCL-1 Assay): The dose-dependent inhibition by the compo... | - |
| Unchecked | IC50 | = | 50.0 | nM | 7.3 | MCL-1/Noxa BH3 Peptide (MCL-1 Assay): The dose-dependent inhibition by the compo... | - |
| BCL2L1/BAD | IC50 | = | 14000.0 | nM | 4.85 | BCL-XL/Bad BH3 Peptide (BCL-XL Assay): The dose-dependent inhibition by the comp... | - |
| BCL2L1/BAD | IC50 | = | 16000.0 | nM | 4.8 | BCL-XL/Bad BH3 Peptide (BCL-XL Assay): The dose-dependent inhibition by the comp... | - |
| BCL2L1/BAD | IC50 | = | 19000.0 | nM | 4.72 | BCL-XL/Bad BH3 Peptide (BCL-XL Assay): The dose-dependent inhibition by the comp... | - |
Data from ChEMBL 36 via Core Engine