Compound Detail
CHEMBL3781288
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Basic Information
| ChEMBL ID | CHEMBL3781288 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PISFZLGBNDTOLL-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
287.1
MW (Da)
2.93
ALogP
3
HBA
1
HBD
52.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 4.91 | 4.88 | 12250.0 | 2 |
| HepG2 CHEMBL395 | EC50 | 4.69 | 4.69 | 20290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 12250.0 | nM | 4.91 | Antiproliferative activity against human MGC803 cells after 48 hrs by MTT assay | 26883149 |
| NON-PROTEIN TARGET | EC50 | = | 14010.0 | nM | 4.85 | Antiproliferative activity against human SGC7901 cells after 48 hrs by MTT assay | 26883149 |
| HepG2 | EC50 | = | 20290.0 | nM | 4.69 | 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