Compound Detail
CHEMBL2205240
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Basic Information
| ChEMBL ID | CHEMBL2205240 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTXAGHXRIBLWES-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
210.6
MW (Da)
2.46
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.54
Ki 1 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Ki | 5.28 | 5.28 | 5260.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 4.54 | 4.54 | 28570.0 | 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 | Ki | = | 5260.0 | nM | 5.28 | Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human M... | 33218896 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 28570.0 | nM | 4.54 | Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human M... | 33218896 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22925447 | 10.1016/j.bmc.2012.07.043 | U-937 | 5 |
| 33218896 | 10.1016/j.bmc.2020.115851 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 2 |
Data from ChEMBL 36 via Core Engine