Compound Detail
CHEMBL4284272
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Basic Information
| ChEMBL ID | CHEMBL4284272 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHRKACWENXXEIZ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
309.8
MW (Da)
4.03
ALogP
2
HBA
2
HBD
61.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HepG2 CHEMBL395 | IC50 | 4.58 | 4.58 | 26590.0 | 1 |
| SK-OV-3 CHEMBL614925 | IC50 | 4.48 | 4.48 | 33020.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 4.44 | 4.44 | 36530.0 | 1 |
| BEL-7404 tumor cell line CHEMBL614280 | IC50 | 4.41 | 4.41 | 38950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HepG2 | IC50 | = | 26590.0 | nM | 4.58 | Cytotoxicity against human HepG2 cells after 48 hrs by MTT assay | 30092368 |
| SK-OV-3 | IC50 | = | 33020.0 | nM | 4.48 | Cytotoxicity against human SKOV3 cells after 48 hrs by MTT assay | 30092368 |
| NCI-H460 | IC50 | = | 36530.0 | nM | 4.44 | Cytotoxicity against human NCI-H460 cells after 48 hrs by MTT assay | 30092368 |
| BEL-7404 tumor cell line | IC50 | = | 38950.0 | nM | 4.41 | Cytotoxicity against human Bel7404 cells after 48 hrs by MTT assay | 30092368 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30092368 | 10.1016/j.ejmech.2018.07.066 | HepG2 | 1 |
| 30092368 | 10.1016/j.ejmech.2018.07.066 | SK-OV-3 | 1 |
| 30092368 | 10.1016/j.ejmech.2018.07.066 | NCI-H460 | 1 |
| 30092368 | 10.1016/j.ejmech.2018.07.066 | BEL-7404 tumor cell line | 1 |
| 30092368 | 10.1016/j.ejmech.2018.07.066 | L02 | 1 |
Data from ChEMBL 36 via Core Engine