Compound Detail
CHEMBL2437043
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Basic Information
| ChEMBL ID | CHEMBL2437043 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHITUGVWMWZVON-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
458.6
MW (Da)
4.43
ALogP
5
HBA
3
HBD
83.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.74
EC50 1 meas. best 5.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 5.74 | 5.74 | 1810.0 | 1 |
| HaCaT CHEMBL614392 | IC50 | 5.68 | 5.68 | 2080.0 | 1 |
| Vitamin D3 receptor CHEMBL1977 | EC50 | 5.25 | 5.25 | 5640.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 1810.0 | nM | 5.74 | Cytotoxicity against human MCF7 cells after 48 hrs by MTT assay | 24099996 |
| HaCaT | IC50 | = | 2080.0 | nM | 5.68 | Cytotoxicity against human HaCaT cells after 48 hrs by MTT assay | 24099996 |
| Vitamin D3 receptor | EC50 | = | 5640.0 | nM | 5.25 | Agonist activity at VDR in human HL60 cells assessed as induction of cell differ... | 24099996 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24099996 | 10.1016/j.ejmech.2013.09.015 | MCF7 | 1 |
| 24099996 | 10.1016/j.ejmech.2013.09.015 | HaCaT | 1 |
| 24099996 | 10.1016/j.ejmech.2013.09.015 | Vitamin D3 receptor | 1 |
Data from ChEMBL 36 via Core Engine