Compound Detail
CHEMBL384218
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COc1ccc(-c2ccccc2CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@H](CCN(C)C)CSc5ccccc5)c([N+](=O)[O-])c4)cc3)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL384218 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZFYCZAOGZJWFS-PGUFJCEWSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
809.0
MW (Da)
7.24
ALogP
11
HBA
2
HBD
137.4
PSA (Ų)
0.06
QED
3
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Apoptosis regulator Bcl-2 CHEMBL4860 | EC50 | 7.6 | 7.005 | 25.0 | 2 |
| Bcl-2-like protein 1 CHEMBL4625 | EC50 | 7.52 | 7.52 | 30.0 | 1 |
| FL5.12 CHEMBL4296414 | EC50 | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Apoptosis regulator Bcl-2 | EC50 | = | 25.0 | nM | 7.6 | Reversal of cytokine withdrawal protection in IL3 dependent Bcl2 overexpressing ... | 17256834 |
| Bcl-2-like protein 1 | EC50 | = | 30.0 | nM | 7.52 | Reversal of cytokine withdrawal protection in IL3 dependent Bcl-xL overexpressin... | 17256834 |
| Apoptosis regulator Bcl-2 | EC50 | = | 390.0 | nM | 6.41 | Reversal of cytokine withdrawal protection in IL3 dependent Bcl2 overexpressing ... | 17256834 |
| FL5.12 | EC50 | = | 700.0 | nM | 6.16 | Reversal of cytokine withdrawal protection in IL3 dependent Bcl-xL overexpressin... | 17256834 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17256834 | 10.1021/jm061152t | Bcl-2-like protein 1 | 3 |
| 17256834 | 10.1021/jm061152t | Apoptosis regulator Bcl-2 | 3 |
| 17256834 | 10.1021/jm061152t | FL5.12 | 1 |
Data from ChEMBL 36 via Core Engine