Compound Detail
CHEMBL503454
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1c(Cl)c(C(=O)N(c2ccccc2)c2ccccc2)nn1-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CN
Basic Information
| ChEMBL ID | CHEMBL503454 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLZCQGFPFQDFLC-NDEPHWFRSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
576.1
MW (Da)
6.34
ALogP
5
HBA
1
HBD
84.5
PSA (Ų)
0.26
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Apoptosis regulator Bcl-2 CHEMBL4860 | IC50 | 7.52 | 7.3467 | 30.0 | 3 |
| Bcl2-associated agonist of cell death CHEMBL3817 | IC50 | 5.79 | 5.79 | 1610.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Apoptosis regulator Bcl-2 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of GST fused Bcl-2 binding to biotinylated 16 mer Bak-BH3 peptide by ... | 19027294 |
| Apoptosis regulator Bcl-2 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of Bcl2 (unknown origin) | 31188592 |
| Apoptosis regulator Bcl-2 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of GST fused Bcl-2 binding to biotinylated 26 mer Bak-BH3 peptide by ... | 19027294 |
| Bcl2-associated agonist of cell death | IC50 | = | 1610.0 | nM | 5.79 | Inhibition of GST fused Bcl-xL binding to biotinylated 16 mer Bak-BH3 peptide by... | 19027294 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19027294 | 10.1016/j.bmcl.2008.10.113 | Apoptosis regulator Bcl-2 | 2 |
| 19027294 | 10.1016/j.bmcl.2008.10.113 | Bcl2-associated agonist of cell death | 2 |
| 31188592 | 10.1021/acs.jmedchem.8b01732 | Apoptosis regulator Bcl-2 | 1 |
Data from ChEMBL 36 via Core Engine