Compound Detail
CHEMBL4204650
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CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(C)(=O)=O)cc3)CC2)C1
Basic Information
| ChEMBL ID | CHEMBL4204650 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRSJAIQVJAZFHV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
516.1
MW (Da)
4.82
ALogP
5
HBA
1
HBD
69.7
PSA (Ų)
0.60
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Apoptosis regulator Bcl-2 CHEMBL4860 | IC50 | 6.3 | 6.3 | 495.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Apoptosis regulator Bcl-2 | IC50 | = | 495.0 | nM | 6.3 | Displacement of Bax-derived peptide from Bcl-2 (unknown origin) by fluorescence ... | 29229225 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29229225 | 10.1016/j.bmc.2017.12.001 | Apoptosis regulator Bcl-2 | 1 |
| 29229225 | 10.1016/j.bmc.2017.12.001 | Bcl-2-like protein 1 | 1 |
| 29229225 | 10.1016/j.bmc.2017.12.001 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine