Compound Detail
CHEMBL4519497
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Basic Information
| ChEMBL ID | CHEMBL4519497 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GESSOJAUHWSJSK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
2.40
ALogP
4
HBA
0
HBD
56.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Ki | 7.24 | 7.24 | 58.0 | 1 |
| Apoptosis regulator Bcl-2 CHEMBL4860 | Ki | 6.51 | 6.51 | 310.0 | 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 | = | 58.0 | nM | 7.24 | Inhibition of MCl-1 (unknown origin) | 31129454 |
| Apoptosis regulator Bcl-2 | Ki | = | 310.0 | nM | 6.51 | Inhibition of Bcl2 (unknown origin) | 31129454 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31129454 | 10.1016/j.ejmech.2019.05.019 | Apoptosis regulator Bcl-2 | 1 |
| 31129454 | 10.1016/j.ejmech.2019.05.019 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 1 |
Data from ChEMBL 36 via Core Engine