Compound Detail
CHEMBL5075238
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O=[N+]([O-])c1ccc(Oc2ccccc2-c2ccc(S(=O)(=O)NCCNC(=S)Nc3cccc(Cl)c3)s2)cc1
Basic Information
| ChEMBL ID | CHEMBL5075238 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAGZSCVUAHJRFX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
589.1
MW (Da)
6.03
ALogP
7
HBA
3
HBD
122.6
PSA (Ų)
0.09
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.34
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 4600.0 | nM | 5.34 | Cytotoxicity against human HeLa cells assessed as inhibition of cell growth incu... | 34228434 |
| HEK-293T | IC50 | = | 4990.0 | nM | 5.3 | 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