Compound Detail
CHEMBL472604
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Basic Information
| ChEMBL ID | CHEMBL472604 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QISVMUZOXYILIB-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
265.3
MW (Da)
0.88
ALogP
4
HBA
2
HBD
91.9
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.57
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 27000.0 | nM | 4.57 | Growth inhibition of human MCF7 cells after 72 hrs by MTT assay | 18640746 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18640746 | 10.1016/j.ejmech.2008.06.002 | HeLa | 1 |
| 18640746 | 10.1016/j.ejmech.2008.06.002 | MIA PaCa-2 | 1 |
| 18640746 | 10.1016/j.ejmech.2008.06.002 | SW-620 | 1 |
| 18640746 | 10.1016/j.ejmech.2008.06.002 | MCF7 | 1 |
| 18640746 | 10.1016/j.ejmech.2008.06.002 | NCI-H460 | 1 |
| 22854677 | 10.1016/j.ejmech.2012.07.024 | Orphan methyltransferase M.SssI | 1 |
Data from ChEMBL 36 via Core Engine