Compound Detail
CHEMBL5841926
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CCc1nn(CCN2CCOCC2)c2c1-c1c(Cl)ccc3c(CCCOc4cccc5ccccc45)c(C(=O)O)n(c13)CCCCN(C)C2
Basic Information
| ChEMBL ID | CHEMBL5841926 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHFRJMORTHPRRF-UHFFFAOYSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
684.3
MW (Da)
7.14
ALogP
8
HBA
1
HBD
85.0
PSA (Ų)
0.16
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 9.15
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.71 | nM | 9.15 | MCL-1/Noxa BH3 Peptide (MCL-1 Assay): The dose-dependent inhibition by the compo... | - |
| Unchecked | IC50 | = | 1.3 | nM | 8.89 | MCL-1/Noxa BH3 Peptide (MCL-1 Assay): The dose-dependent inhibition by the compo... | - |
| Unchecked | IC50 | = | 1.3 | nM | 8.89 | MCL-1/Noxa BH3 Peptide (MCL-1 Assay): The dose-dependent inhibition by the compo... | - |
| Unchecked | IC50 | = | 41.0 | nM | 7.39 | MCL-1/Noxa BH3 Peptide (MCL-1 Assay): The dose-dependent inhibition by the compo... | - |
| Unchecked | IC50 | = | 44.0 | nM | 7.36 | MCL-1/Noxa BH3 Peptide (MCL-1 Assay): The dose-dependent inhibition by the compo... | - |
| Unchecked | IC50 | = | 44.0 | nM | 7.36 | MCL-1/Noxa BH3 Peptide (MCL-1 Assay): The dose-dependent inhibition by the compo... | - |
| BCL2/BAD | IC50 | = | 19000.0 | nM | 4.72 | BCL-2/Bad BH3 Peptide (BCL-2 Assay): The dose-dependent inhibition by the compou... | - |
Data from ChEMBL 36 via Core Engine