Compound Detail
CHEMBL1579209
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Basic Information
| ChEMBL ID | CHEMBL1579209 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNFDIJKVCXAUCL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
455.5
MW (Da)
3.30
ALogP
5
HBA
1
HBD
81.4
PSA (Ų)
0.24
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 4.85 | 4.85 | 14099.0 | 1 |
| Bcl-2-like protein 1 CHEMBL4625 | IC50 | 4.56 | 4.56 | 27638.0 | 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 | = | 14099.0 | nM | 4.85 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
| Bcl-2-like protein 1 | IC50 | = | 27638.0 | nM | 4.56 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of MCL1: fluorescence polarizatio... | - |
Data from ChEMBL 36 via Core Engine