Compound Detail
CHEMBL3326259
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Basic Information
| ChEMBL ID | CHEMBL3326259 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGVGLQDYGSBQLR-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
478.6
MW (Da)
3.75
ALogP
8
HBA
1
HBD
90.0
PSA (Ų)
0.29
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.43
IC50 1 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Raji CHEMBL614628 | EC50 | 7.43 | 7.43 | 37.0 | 1 |
| MCF7 CHEMBL387 | EC50 | 6.29 | 6.29 | 516.0 | 1 |
| Monocarboxylate transporter 1 CHEMBL4360 | IC50 | 6.17 | 6.17 | 669.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Raji | EC50 | = | 37.0 | nM | 7.43 | Growth inhibition of human Raji cells after 96 hrs by MTT assay | 25068893 |
| MCF7 | EC50 | = | 516.0 | nM | 6.29 | Growth inhibition of human MCF7 cells overexpressing MCT1 after 4 days by MTT as... | 25068893 |
| Monocarboxylate transporter 1 | IC50 | = | 669.0 | nM | 6.17 | Inhibition of MCT1 (unknown origin) overexpressed in human MCF7 cells assessed a... | 25068893 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25068893 | 10.1021/jm500640x | MCF7 | 2 |
| 25068893 | 10.1021/jm500640x | Raji | 1 |
| 25068893 | 10.1021/jm500640x | Monocarboxylate transporter 1 | 1 |
Data from ChEMBL 36 via Core Engine