Compound Detail
CHEMBL3331587
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3331587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BDZJKRIVLYVTJL-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
363.2
MW (Da)
4.21
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MGC-803 CHEMBL3706566 | IC50 | 4.64 | 4.64 | 22700.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.17 | 4.17 | 67900.0 | 1 |
| CNE CHEMBL613824 | IC50 | 4.07 | 4.07 | 85610.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MGC-803 | IC50 | = | 22700.0 | nM | 4.64 | Antiproliferative activity against human MGC803 cells assessed as inhibition of ... | 25113877 |
| NON-PROTEIN TARGET | IC50 | = | 67900.0 | nM | 4.17 | Antiproliferative activity against human Bel7402 cells assessed as inhibition of... | 25113877 |
| CNE | IC50 | = | 85610.0 | nM | 4.07 | Antiproliferative activity against human CNE cells assessed as inhibition of cel... | 25113877 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25113877 | 10.1016/j.ejmech.2014.07.076 | A549 | 1 |
| 25113877 | 10.1016/j.ejmech.2014.07.076 | MGC-803 | 1 |
| 25113877 | 10.1016/j.ejmech.2014.07.076 | NON-PROTEIN TARGET | 1 |
| 25113877 | 10.1016/j.ejmech.2014.07.076 | CNE | 1 |
Data from ChEMBL 36 via Core Engine