Compound Detail
CHEMBL5770870
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CCc1c2c(nn1C)COCC1(CCn3c(C(=O)O)c(CCCOc4cccc5ccccc45)c4ccc(Cl)c-2c43)CC1
Basic Information
| ChEMBL ID | CHEMBL5770870 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LIPRSTXCRRUMBL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
598.1
MW (Da)
7.82
ALogP
6
HBA
1
HBD
78.5
PSA (Ų)
0.19
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.74 | 7.85 | 1.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1.8 | nM | 8.74 | MCL-1/Noxa BH3 Peptide (MCL-1 Assay): The dose-dependent inhibition by the compo... | - |
| Unchecked | IC50 | = | 110.0 | nM | 6.96 | MCL-1/Noxa BH3 Peptide (MCL-1 Assay): The dose-dependent inhibition by the compo... | - |
Data from ChEMBL 36 via Core Engine