Compound Detail
CHEMBL5811141
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Cc1nn(C)c2c1-c1c(Cl)ccc3c(CCCOc4cccc5ccccc45)c(C(=O)O)n(c13)CCCCOC2
Basic Information
| ChEMBL ID | CHEMBL5811141 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPCSRTPOKGWSIX-UHFFFAOYSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
558.1
MW (Da)
7.18
ALogP
6
HBA
1
HBD
78.5
PSA (Ų)
0.22
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.96 | 8.3933 | 1.1 | 6 |
| BCL2L1/BAD CHEMBL5169267 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1.1 | nM | 8.96 | MCL-1/Noxa BH3 Peptide (MCL-1 Assay): The dose-dependent inhibition by the compo... | - |
| Unchecked | IC50 | = | 1.1 | nM | 8.96 | MCL-1/Noxa BH3 Peptide (MCL-1 Assay): The dose-dependent inhibition by the compo... | - |
| Unchecked | IC50 | = | 1.6 | nM | 8.8 | MCL-1/Noxa BH3 Peptide (MCL-1 Assay): The dose-dependent inhibition by the compo... | - |
| Unchecked | IC50 | = | 1.6 | nM | 8.8 | MCL-1/Noxa BH3 Peptide (MCL-1 Assay): The dose-dependent inhibition by the compo... | - |
| Unchecked | IC50 | = | 38.0 | nM | 7.42 | MCL-1/Noxa BH3 Peptide (MCL-1 Assay): The dose-dependent inhibition by the compo... | - |
| Unchecked | IC50 | = | 38.0 | nM | 7.42 | MCL-1/Noxa BH3 Peptide (MCL-1 Assay): The dose-dependent inhibition by the compo... | - |
| BCL2L1/BAD | IC50 | = | 16000.0 | nM | 4.8 | BCL-XL/Bad BH3 Peptide (BCL-XL Assay): The dose-dependent inhibition by the comp... | - |
Data from ChEMBL 36 via Core Engine