Compound Detail
CHEMBL3780568
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Basic Information
| ChEMBL ID | CHEMBL3780568 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSYYCGAKRISVSY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
413.3
MW (Da)
3.81
ALogP
4
HBA
1
HBD
70.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 4.81 | 4.81 | 15450.0 | 1 |
| HepG2 CHEMBL395 | EC50 | 4.3 | 4.3 | 50110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 15450.0 | nM | 4.81 | Antiproliferative activity against human MGC803 cells after 48 hrs by MTT assay | 26883149 |
| HepG2 | EC50 | = | 50110.0 | nM | 4.3 | Antiproliferative activity against human HepG2 cells after 48 hrs by MTT assay | 26883149 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26883149 | 10.1016/j.bmcl.2016.02.025 | NON-PROTEIN TARGET | 2 |
| 26883149 | 10.1016/j.bmcl.2016.02.025 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine