Compound Detail
CHEMBL1927334
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COc1cc(OC)c2c(c1)C(=O)c1cc(C)c(Cn3cc(F)c(=O)n(CCc4ccccc4)c3=O)c(OC)c1C2=O
Basic Information
| ChEMBL ID | CHEMBL1927334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYGGKNOBVOLHBV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
558.6
MW (Da)
3.55
ALogP
9
HBA
0
HBD
105.8
PSA (Ų)
0.29
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK293 CHEMBL614818 | IC50 | 5.34 | 5.34 | 4600.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.94 | 4.94 | 11600.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.16 | 4.16 | 68600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | IC50 | = | 4600.0 | nM | 5.34 | Cytotoxicity against human HEK293 cells after 2 days by alamar blue assay | 22093761 |
| NON-PROTEIN TARGET | IC50 | = | 11600.0 | nM | 4.94 | Cytotoxicity against human HO8910 cells after 2 days by alamar blue assay | 22093761 |
| HepG2 | IC50 | = | 68600.0 | nM | 4.16 | Cytotoxicity against human HepG2 cells after 2 days by alamar blue assay | 22093761 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22093761 | 10.1016/j.ejmech.2011.10.050 | NON-PROTEIN TARGET | 1 |
| 22093761 | 10.1016/j.ejmech.2011.10.050 | SGC-7901 | 1 |
| 22093761 | 10.1016/j.ejmech.2011.10.050 | HepG2 | 1 |
| 22093761 | 10.1016/j.ejmech.2011.10.050 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine