Compound Detail
CHEMBL2159733
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Basic Information
| ChEMBL ID | CHEMBL2159733 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUHZBGFCBZKWRB-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
465.0
MW (Da)
4.69
ALogP
4
HBA
1
HBD
40.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas.
Ki 2 meas. best 4.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.42 | 4.42 | 38000.0 | 1 |
| Bcl-2-like protein 1 CHEMBL4625 | Ki | 4.06 | 4.06 | 88000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 38000.0 | nM | 4.42 | Inhibition of human N-terminal His6-tagged Bcl2 isoform 2 expressed in Escherich... | 22747598 |
| Bcl-2-like protein 1 | Ki | = | 88000.0 | nM | 4.06 | Inhibition of human N-terminal His8-tagged Bcl-XL expressed in Escherichia coli ... | 22747598 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22747598 | 10.1021/jm300608w | Bcl-2-like protein 1 | 2 |
| 22747598 | 10.1021/jm300608w | Unchecked | 2 |
| 22747598 | 10.1021/jm300608w | NCI-H1963 | 1 |
| 22747598 | 10.1021/jm300608w | NCI-H1417 | 1 |
| 22747598 | 10.1021/jm300608w | NON-PROTEIN TARGET | 1 |
| 22747598 | 10.1021/jm300608w | Induced myeloid leukemia cell differentiation protein Mcl-1 | 1 |
Data from ChEMBL 36 via Core Engine