Compound Detail
CHEMBL5192318
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Basic Information
| ChEMBL ID | CHEMBL5192318 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNOLFDTWCHLWKX-XBXARRHUSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
297.1
MW (Da)
0.69
ALogP
4
HBA
4
HBD
96.2
PSA (Ų)
0.27
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.06 | 6.435 | 87.3 | 2 |
| MCF7 CHEMBL387 | IC50 | 4.77 | 4.77 | 16860.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.73 | 4.73 | 18570.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 4.55 | 4.55 | 28440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 87.34 | nM | 7.06 | Inhibition of EGFR L858R mutant (unknown origin) | 34998058 |
| Epidermal growth factor receptor | IC50 | = | 1547.0 | nM | 5.81 | Inhibition of wild-type EGFR (unknown origin) | 34998058 |
| MCF7 | IC50 | = | 16860.0 | nM | 4.77 | Antiproliferative activity against human MCF7 cells | 34998058 |
| HepG2 | IC50 | = | 18570.0 | nM | 4.73 | Antiproliferative activity against human HepG2 cells | 34998058 |
| HCT-116 | IC50 | = | 28440.0 | nM | 4.55 | Antiproliferative activity against human HCT-116 cells | 34998058 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34998058 | 10.1016/j.ejmech.2021.114085 | Epidermal growth factor receptor | 2 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | MCF7 | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | HepG2 | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | HCT-116 | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | WI-38 | 1 |
Data from ChEMBL 36 via Core Engine