Compound Detail
CHEMBL4210753
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Basic Information
| ChEMBL ID | CHEMBL4210753 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIZJJNIMVQOUIQ-HXUWFJFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
473.6
MW (Da)
3.73
ALogP
5
HBA
3
HBD
95.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A2780 CHEMBL614004 | IC50 | 6.2 | 6.2 | 630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2780 | IC50 | = | 630.0 | nM | 6.2 | Antiproliferative activity against human A2780 cells after 4 days by CellTiter-G... | 29275937 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29275937 | 10.1016/j.bmcl.2017.12.037 | A2780 | 1 |
| 29275937 | 10.1016/j.bmcl.2017.12.037 | COR-L23 | 1 |
Data from ChEMBL 36 via Core Engine