Compound Detail
CHEMBL3330764
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Basic Information
| ChEMBL ID | CHEMBL3330764 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GAOWNPPXBZHLIS-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
2.05
ALogP
8
HBA
1
HBD
87.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MGC-803 CHEMBL3706566 | IC50 | 4.21 | 4.21 | 61100.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.17 | 4.17 | 67700.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.07 | 4.07 | 85400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MGC-803 | IC50 | = | 61100.0 | nM | 4.21 | Anticancer activity against human MGC803 cells assessed as inhibition of cell pr... | 25086915 |
| NON-PROTEIN TARGET | IC50 | = | 67700.0 | nM | 4.17 | Anticancer activity against human EC9706 cells assessed as inhibition of cell pr... | 25086915 |
| MCF7 | IC50 | = | 85400.0 | nM | 4.07 | Anticancer activity against human MCF7 cells assessed as inhibition of cell prol... | 25086915 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25086915 | 10.1016/j.ejmech.2014.07.031 | HeLa | 1 |
| 25086915 | 10.1016/j.ejmech.2014.07.031 | NON-PROTEIN TARGET | 1 |
| 25086915 | 10.1016/j.ejmech.2014.07.031 | MGC-803 | 1 |
| 25086915 | 10.1016/j.ejmech.2014.07.031 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine