Compound Detail
CHEMBL4545843
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Basic Information
| ChEMBL ID | CHEMBL4545843 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGKRMFFBBKKPDU-ZDUSSCGKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
367.5
MW (Da)
2.73
ALogP
6
HBA
1
HBD
56.8
PSA (Ų)
0.33
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MGC-803 CHEMBL3706566 | IC50 | 4.55 | 4.55 | 27920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MGC-803 | IC50 | = | 27920.0 | nM | 4.55 | Antiproliferative activity against human MGC803 cells after 72 hrs by MTT assay | 30553142 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30553142 | 10.1016/j.ejmech.2018.12.014 | MGC-803 | 1 |
| 30553142 | 10.1016/j.ejmech.2018.12.014 | MCF7 | 1 |
| 30553142 | 10.1016/j.ejmech.2018.12.014 | DU-145 | 1 |
| 30553142 | 10.1016/j.ejmech.2018.12.014 | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine