Compound Detail
CHEMBL479041
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Basic Information
| ChEMBL ID | CHEMBL479041 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WOURPVRGKHZHAZ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
349.2
MW (Da)
3.82
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MGC-803 CHEMBL3706566 | IC50 | 4.54 | 4.54 | 28900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MGC-803 | IC50 | = | 28900.0 | nM | 4.54 | Antiproliferative activity against human MGC803 cells assessed as inhibition of ... | 25113877 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18632275 | 10.1016/j.bmc.2008.06.043 | Unchecked | 2 |
| 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