Compound Detail
CHEMBL4746036
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Basic Information
| ChEMBL ID | CHEMBL4746036 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZQJRRXKLFSWRT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
225.2
MW (Da)
0.25
ALogP
5
HBA
1
HBD
67.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 4.09 | 4.09 | 81750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 81750.0 | nM | 4.09 | Antitumor activity against human MCF7 cells assessed as inhibition of cell viabi... | 33065442 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33065442 | 10.1016/j.bmc.2020.115674 | HCT-116 | 1 |
| 33065442 | 10.1016/j.bmc.2020.115674 | MCF7 | 1 |
| 33065442 | 10.1016/j.bmc.2020.115674 | HepG2 | 1 |
| 33065442 | 10.1016/j.bmc.2020.115674 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine