Compound Detail
CHEMBL1449253
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Basic Information
| ChEMBL ID | CHEMBL1449253 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QSAKKBGLYQHWAK-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
375.5
MW (Da)
3.39
ALogP
7
HBA
1
HBD
73.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.71
EC50 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator CHEMBL4051 | EC50 | 6.16 | 6.16 | 685.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.71 | 5.5 | 1966.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 685.0 | nM | 6.16 | Activation of human CFTR expressed in rat FRT cells | 38107177 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 1966.6 | nM | 5.71 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 5139.0 | nM | 5.29 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38107177 | 10.1039/d3md00448a | Cystic fibrosis transmembrane conductance regulator | 2 |
| 38107177 | 10.1039/d3md00448a | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine