Compound Detail
CHEMBL4085804
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(S(C)(=O)=O)c(-c2cc(F)cc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(N[C@H](CCN6CCC(O)CC6)CSc6ccccc6)c(S(=O)(=O)C(F)(F)F)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C(C)C
Basic Information
| ChEMBL ID | CHEMBL4085804 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMKVQMFONHHNMZ-HUESYALOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
1131.8
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Apoptosis regulator Bcl-2 CHEMBL4860 | Ki | 9.15 | 9.15 | 0.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Apoptosis regulator Bcl-2 | Ki | = | 0.7 | nM | 9.15 | Binding affinity to Bcl-2 (unknown origin) assessed as inhibition constant by fl... | 35182816 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27749061 | 10.1021/acs.jmedchem.5b01888 | Unchecked | 2 |
| 27749061 | 10.1021/acs.jmedchem.5b01888 | Apoptosis regulator Bcl-2 | 1 |
| 27749061 | 10.1021/acs.jmedchem.5b01888 | Bcl-2-like protein 1 | 1 |
| 31129454 | 10.1016/j.ejmech.2019.05.019 | Apoptosis regulator Bcl-2 | 1 |
| 31129454 | 10.1016/j.ejmech.2019.05.019 | Bcl-2-like protein 1 | 1 |
| 35182816 | 10.1016/j.ejmech.2022.114184 | Apoptosis regulator Bcl-2 | 1 |
| 35182816 | 10.1016/j.ejmech.2022.114184 | Bcl-2-like protein 1 | 1 |
Data from ChEMBL 36 via Core Engine