Compound Detail
CHEMBL1451039
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Basic Information
| ChEMBL ID | CHEMBL1451039 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXSHRZCSKZMLCK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
299.2
MW (Da)
3.12
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.06 | 5.06 | 8627.0 | 1 |
| Bcl-2-like protein 1 CHEMBL4625 | IC50 | 4.22 | 4.22 | 60566.0 | 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 | = | 8627.0 | nM | 5.06 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
| Bcl-2-like protein 1 | IC50 | = | 60566.0 | nM | 4.22 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of MCL1: fluorescence polarizatio... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37874947 | 10.1021/acs.jmedchem.3c01277 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine