Compound Detail
CHEMBL5929257
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CCc1nn(CCN2CCOCC2)c2c1-c1c(Cl)ccc3c(CCCOc4cccc5ccccc45)c(C(=O)O)n(c13)C/C=C\CN(C)C2
Basic Information
| ChEMBL ID | CHEMBL5929257 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJXJNUGYXIGETG-SREVYHEPSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
682.3
MW (Da)
6.92
ALogP
8
HBA
1
HBD
85.0
PSA (Ų)
0.13
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.85 | 8.3017 | 1.4 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1.4 | nM | 8.85 | MCL-1/Noxa BH3 Peptide (MCL-1 Assay): The dose-dependent inhibition by the compo... | - |
| Unchecked | IC50 | = | 1.4 | nM | 8.85 | MCL-1/Noxa BH3 Peptide (MCL-1 Assay): The dose-dependent inhibition by the compo... | - |
| Unchecked | IC50 | = | 4.0 | nM | 8.4 | MCL-1/Noxa BH3 Peptide (MCL-1 Assay): The dose-dependent inhibition by the compo... | - |
| Unchecked | IC50 | = | 4.0 | nM | 8.4 | MCL-1/Noxa BH3 Peptide (MCL-1 Assay): The dose-dependent inhibition by the compo... | - |
| Unchecked | IC50 | = | 12.0 | nM | 7.92 | 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... | - |
Data from ChEMBL 36 via Core Engine