Compound Detail
CHEMBL4521112
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Basic Information
| ChEMBL ID | CHEMBL4521112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVAJPNVZGQNWQE-SECBINFHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
3.51
ALogP
6
HBA
3
HBD
95.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Apoptosis regulator Bcl-2 CHEMBL4860 | Ki | 5.3 | 5.3 | 5000.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Ki | 4.35 | 4.35 | 45000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Apoptosis regulator Bcl-2 | Ki | = | 5000.0 | nM | 5.3 | Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from human N-te... | 31339316 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | Ki | = | 45000.0 | nM | 4.35 | Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused ... | 31339316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31339316 | 10.1021/acs.jmedchem.9b00134 | Apoptosis regulator Bcl-2 | 1 |
| 31339316 | 10.1021/acs.jmedchem.9b00134 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 1 |
| 31339316 | 10.1021/acs.jmedchem.9b00134 | Bcl-2-like protein 1 | 1 |
Data from ChEMBL 36 via Core Engine