Compound Detail
CHEMBL5078061
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O=S(=O)(NCCNC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(-c2ccccc2OCc2ccccc2)s1
Basic Information
| ChEMBL ID | CHEMBL5078061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSZQBJCEWXOWLA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
659.7
MW (Da)
7.30
ALogP
5
HBA
3
HBD
79.5
PSA (Ų)
0.09
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.68
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 2100.0 | nM | 5.68 | Cytotoxicity against human HL-60 cells assessed as inhibition of cell growth inc... | 34228434 |
| HeLa | IC50 | = | 4700.0 | nM | 5.33 | Cytotoxicity against human HeLa cells assessed as inhibition of cell growth incu... | 34228434 |
| HEK-293T | IC50 | = | 8500.0 | nM | 5.07 | Cytotoxicity against HEK293T cells assessed as reduction in cell viability incub... | 34228434 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34228434 | 10.1021/acs.jmedchem.1c00690 | HeLa | 1 |
| 34228434 | 10.1021/acs.jmedchem.1c00690 | HL-60 | 1 |
| 34228434 | 10.1021/acs.jmedchem.1c00690 | RS4-11 | 1 |
| 34228434 | 10.1021/acs.jmedchem.1c00690 | HEK-293T | 1 |
| 34228434 | 10.1021/acs.jmedchem.1c00690 | Bcl-2-like protein 1 | 1 |
| 34228434 | 10.1021/acs.jmedchem.1c00690 | Apoptosis regulator Bcl-2 | 1 |
| 34228434 | 10.1021/acs.jmedchem.1c00690 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 1 |
Data from ChEMBL 36 via Core Engine