Compound Detail
CHEMBL3331599
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Basic Information
| ChEMBL ID | CHEMBL3331599 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WUMYIJJJQXKEPL-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3558342 |
| Active Moiety | CHEMBL3558342 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
3.66
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MGC-803 CHEMBL3706566 | IC50 | 5.01 | 5.01 | 9660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MGC-803 | IC50 | = | 9660.0 | nM | 5.01 | Antiproliferative activity against human MGC803 cells assessed as inhibition of ... | 25113877 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
| 25113877 | 10.1016/j.ejmech.2014.07.076 | A549 | 1 |
Data from ChEMBL 36 via Core Engine