Compound Detail
CHEMBL4754778
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CCOc1ccc(C/C(=N\O)C(=O)NCC[Se][Se]CCNC(=O)/C(Cc2ccc(OCC)cc2)=N/O)cc1
Basic Information
| ChEMBL ID | CHEMBL4754778 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAGAFLBENYDRDD-HCTXVGCHSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
656.5
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SNU-638 CHEMBL614935 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| A549 CHEMBL392 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| SK-HEP1 CHEMBL614912 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SNU-638 | IC50 | = | 30.0 | nM | 7.52 | Cytotoxicity against human SNU-638 cells assessed as reduction in cell viability... | 33636429 |
| A549 | IC50 | = | 50.0 | nM | 7.3 | Cytotoxicity against human A549 cells assessed as reduction in cell viability by... | 33636429 |
| HCT-116 | IC50 | = | 70.0 | nM | 7.16 | Cytotoxicity against human HCT-116 cells assessed as reduction in cell viability... | 33636429 |
| SK-HEP1 | IC50 | = | 180.0 | nM | 6.75 | Cytotoxicity against human SK-HEP1 cells assessed as reduction in cell viability... | 33636429 |
| MDA-MB-231 | IC50 | = | 200.0 | nM | 6.7 | Cytotoxicity against human MDA-MB-231 cells assessed as reduction in cell viabil... | 33636429 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33636429 | 10.1016/j.bmc.2021.116072 | Histone-lysine N-methyltransferase, H3 lysine-79 specific | 2 |
| 33636429 | 10.1016/j.bmc.2021.116072 | A549 | 1 |
| 33636429 | 10.1016/j.bmc.2021.116072 | HCT-116 | 1 |
| 33636429 | 10.1016/j.bmc.2021.116072 | MDA-MB-231 | 1 |
| 33636429 | 10.1016/j.bmc.2021.116072 | SK-HEP1 | 1 |
| 33636429 | 10.1016/j.bmc.2021.116072 | SNU-638 | 1 |
Data from ChEMBL 36 via Core Engine