Compound Detail
CHEMBL5412628
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Basic Information
| ChEMBL ID | CHEMBL5412628 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMFPUSRRQDKHIO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
284.4
MW (Da)
4.26
ALogP
2
HBA
1
HBD
45.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| LNCaP C4-2 CHEMBL4296460 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 1600.0 | nM | 5.8 | Anticancer activity against human MCF7 cells assessed as cell growth inhibition ... | 37659217 |
| LNCaP C4-2 | IC50 | = | 2300.0 | nM | 5.64 | Anticancer activity against human LNCaP C4-2 cells assessed as cell growth inhib... | 37659217 |
| HEK293 | IC50 | = | 40000.0 | nM | 4.4 | Cytotoxicity against HEK293 cells assessed as cell growth inhibition measured af... | 37659217 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37659217 | 10.1016/j.bmc.2023.117459 | CWR22R | 1 |
| 37659217 | 10.1016/j.bmc.2023.117459 | LNCaP C4-2 | 1 |
| 37659217 | 10.1016/j.bmc.2023.117459 | PC-3 | 1 |
| 37659217 | 10.1016/j.bmc.2023.117459 | MCF7 | 1 |
| 37659217 | 10.1016/j.bmc.2023.117459 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine