Compound Detail
CHEMBL3597198
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Basic Information
| ChEMBL ID | CHEMBL3597198 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COQSOTGRRKEMKW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
421.9
MW (Da)
5.75
ALogP
4
HBA
1
HBD
60.5
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 6.48 | 6.48 | 330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 330.0 | nM | 6.48 | Cytotoxicity against human MCF7 cells assessed as growth inhibition after 48 hrs... | 26132075 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26132075 | 10.1021/acs.jmedchem.5b00310 | Tubulin | 1 |
| 26132075 | 10.1021/acs.jmedchem.5b00310 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine