Compound Detail
CHEMBL1811988
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Basic Information
| ChEMBL ID | CHEMBL1811988 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMAVFZDBSSUKSB-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
378.9
MW (Da)
5.67
ALogP
4
HBA
1
HBD
43.4
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.38
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HepG2 | IC50 | = | 4200.0 | nM | 5.38 | Antiproliferative activity against human HepG2 cells after 48 hrs by MTT assay | 21576023 |
| K562 | IC50 | = | 5000.0 | nM | 5.3 | Antiproliferative activity against human K562 cells after 48 hrs by MTT assay | 21576023 |
| MCF7 | IC50 | = | 23800.0 | nM | 4.62 | Antiproliferative activity against human MCF7 cells after 48 hrs by MTT assay | 21576023 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21576023 | 10.1016/j.bmc.2011.04.053 | Proto-oncogene tyrosine-protein kinase Src | 2 |
| 21576023 | 10.1016/j.bmc.2011.04.053 | Vascular endothelial growth factor receptor 2 | 2 |
| 21576023 | 10.1016/j.bmc.2011.04.053 | HepG2 | 1 |
| 21576023 | 10.1016/j.bmc.2011.04.053 | K562 | 1 |
| 21576023 | 10.1016/j.bmc.2011.04.053 | MCF7 | 1 |
| 21576023 | 10.1016/j.bmc.2011.04.053 | DNA topoisomerase 2-alpha | 1 |
Data from ChEMBL 36 via Core Engine