Compound Detail
CHEMBL4776694
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Basic Information
| ChEMBL ID | CHEMBL4776694 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZVWGARFQWOAIP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
471.5
MW (Da)
4.91
ALogP
8
HBA
2
HBD
92.4
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L02 CHEMBL4296457 | IC50 | 4.9 | 4.9 | 12470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L02 | IC50 | = | 12470.0 | nM | 4.9 | Cytotoxicity against human L0-2 cells assessed as reduction in cell viability me... | 32402937 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32402937 | 10.1016/j.ejmech.2020.112388 | Epidermal growth factor receptor | 3 |
| 32402937 | 10.1016/j.ejmech.2020.112388 | NCI-H1975 | 1 |
| 32402937 | 10.1016/j.ejmech.2020.112388 | A549 | 1 |
| 32402937 | 10.1016/j.ejmech.2020.112388 | PC-9 | 1 |
| 32402937 | 10.1016/j.ejmech.2020.112388 | L02 | 1 |
Data from ChEMBL 36 via Core Engine