Compound Detail
CHEMBL2180321
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Basic Information
| ChEMBL ID | CHEMBL2180321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYLYKQAFRDSXIV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
319.1
MW (Da)
2.64
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Ki | 6.97 | 6.97 | 107.0 | 1 |
| Apoptosis regulator Bcl-2 CHEMBL4860 | Ki | 6.88 | 6.88 | 132.0 | 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 | = | 107.0 | nM | 6.97 | Binding affinity to Mcl-1 after 30 mins by florescence polarization assay | 23167494 |
| Apoptosis regulator Bcl-2 | Ki | = | 132.0 | nM | 6.88 | Binding affinity to Bcl-2 after 30 mins by florescence polarization assay | 23167494 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23167494 | 10.1021/jm301504b | Apoptosis regulator Bcl-2 | 1 |
| 23167494 | 10.1021/jm301504b | Induced myeloid leukemia cell differentiation protein Mcl-1 | 1 |
Data from ChEMBL 36 via Core Engine