Compound Detail
CHEMBL4865669
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Basic Information
| ChEMBL ID | CHEMBL4865669 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBZCFNFYWGDCKT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
1.63
ALogP
8
HBA
4
HBD
147.6
PSA (Ų)
0.23
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HepG2 CHEMBL395 | IC50 | 4.44 | 4.44 | 36650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HepG2 | IC50 | = | 36650.0 | nM | 4.44 | Antiproliferative activity against human HepG2 cells assessed as inhibition of c... | 34509167 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34509167 | 10.1016/j.ejmech.2021.113824 | HepG2 | 1 |
| 34509167 | 10.1016/j.ejmech.2021.113824 | MDA-MB-231 | 1 |
| 34509167 | 10.1016/j.ejmech.2021.113824 | HCT-116 | 1 |
| 34509167 | 10.1016/j.ejmech.2021.113824 | MCF7 | 1 |
| 34509167 | 10.1016/j.ejmech.2021.113824 | HeLa | 1 |
| 34509167 | 10.1016/j.ejmech.2021.113824 | CNE-2 | 1 |
| 34509167 | 10.1016/j.ejmech.2021.113824 | A549 | 1 |
Data from ChEMBL 36 via Core Engine