Compound Detail
CHEMBL1311053
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CCc1sc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1[N+](=O)[O-]
Basic Information
| ChEMBL ID | CHEMBL1311053 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUFMHBQKBGNKAD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
447.6
MW (Da)
4.45
ALogP
7
HBA
0
HBD
111.4
PSA (Ų)
0.37
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.22 | 5.22 | 6080.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 6080.0 | nM | 5.22 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
Data from ChEMBL 36 via Core Engine