Compound Detail
CHEMBL192032
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Basic Information
| ChEMBL ID | CHEMBL192032 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHKDJQYHVWSRLT-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
256.2
MW (Da)
1.58
ALogP
5
HBA
3
HBD
94.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Ki | 6.57 | 6.245 | 270.0 | 2 |
| Apoptosis regulator Bcl-2 CHEMBL4860 | Ki | 6.23 | 6.055 | 583.0 | 2 |
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 | = | 270.0 | nM | 6.57 | Binding affinity to Mcl-1 after 30 mins by florescence polarization assay | 23167494 |
| Apoptosis regulator Bcl-2 | Ki | = | 583.0 | nM | 6.23 | Binding affinity to Bcl-2 after 30 mins by florescence polarization assay | 23167494 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | Ki | = | 1211.0 | nM | 5.92 | Displacement of FAM-Bid BH3 peptide from recombinant Mcl-1 (unknown origin) expr... | 24095762 |
| Apoptosis regulator Bcl-2 | Ki | = | 1325.0 | nM | 5.88 | Displacement of FAM-Bid BH3 peptide from recombinant Bcl-2 (unknown origin) expr... | 24095762 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15828820 | 10.1021/jm0492655 | Brugia malayi | 7 |
| 15828820 | 10.1021/jm0492655 | NON-PROTEIN TARGET | 1 |
| 23167494 | 10.1021/jm301504b | Apoptosis regulator Bcl-2 | 1 |
| 23167494 | 10.1021/jm301504b | Induced myeloid leukemia cell differentiation protein Mcl-1 | 1 |
| 24095762 | 10.1016/j.ejmech.2013.09.030 | Apoptosis regulator Bcl-2 | 1 |
| 24095762 | 10.1016/j.ejmech.2013.09.030 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 1 |
Data from ChEMBL 36 via Core Engine