Compound Detail
CHEMBL1543865
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Basic Information
| ChEMBL ID | CHEMBL1543865 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JIEINYQEXWLMCU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
1
Known Names
Molecular Properties
372.2
MW (Da)
4.57
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.58 | 5.58 | 2633.6 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.47 | 4.47 | 33757.0 | 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 | = | 2633.56 | nM | 5.58 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Unchecked | IC50 | = | 33757.0 | nM | 4.47 | PUBCHEM_BIOASSAY: Counterscreen for HCV NS3 helicase inhibitors: Fluorescence-ba... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22014548 | 10.1016/j.bmcl.2011.09.094 | dTDP-4-dehydrorhamnose reductase | 1 |
Data from ChEMBL 36 via Core Engine