Compound Detail
CHEMBL209701
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Basic Information
| ChEMBL ID | CHEMBL209701 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUNNYEGTKIJRKO-AMJPCZIJSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
4.46
ALogP
6
HBA
1
HBD
74.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.98
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HepG2 | IC50 | = | 10450.0 | nM | 4.98 | Antiproliferative activity against human HepG2 cells after 48 hrs by SRB assay | 22889562 |
| LNCaP | IC50 | = | 11800.0 | nM | 4.93 | Cytotoxicity against human LNCaP cell line | 16789753 |
| A549 | IC50 | = | 44690.0 | nM | 4.35 | Antiproliferative activity against human A549 cells after 48 hrs by SRB assay | 22889562 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16789753 | 10.1021/jm051043z | LNCaP | 1 |
| 16789753 | 10.1021/jm051043z | PC-3 | 1 |
| 22889562 | 10.1016/j.ejmech.2012.07.039 | A549 | 1 |
| 22889562 | 10.1016/j.ejmech.2012.07.039 | NON-PROTEIN TARGET | 1 |
| 22889562 | 10.1016/j.ejmech.2012.07.039 | SW480 | 1 |
| 22889562 | 10.1016/j.ejmech.2012.07.039 | MCF7 | 1 |
| 22889562 | 10.1016/j.ejmech.2012.07.039 | HepG2 | 1 |
| 22889562 | 10.1016/j.ejmech.2012.07.039 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine