Compound Detail
CHEMBL2442511
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Basic Information
| ChEMBL ID | CHEMBL2442511 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AZGXIHFVKOMJRL-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
259.3
MW (Da)
2.09
ALogP
4
HBA
1
HBD
70.8
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.66
EC50 1 meas. best 4.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monocarboxylate transporter 1 CHEMBL2073709 | IC50 | 6.66 | 6.54 | 220.0 | 2 |
| SiHa CHEMBL612542 | EC50 | 4.84 | 4.84 | 14300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monocarboxylate transporter 1 | IC50 | = | 220.0 | nM | 6.66 | Inhibition Assay: The entire lactate uptake studies for the inhibition of MCT1 w... | - |
| Monocarboxylate transporter 1 | IC50 | = | 380.0 | nM | 6.42 | Inhibition of MCT1 in rat brain endothelial 4 cells assessed as L-[14C]-Lactate ... | 27241692 |
| SiHa | EC50 | = | 14300.0 | nM | 4.84 | Cytotoxicity against human SiHa cells in lactate-containing medium after 72 hrs ... | 24095010 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24095010 | 10.1016/j.bmc.2013.09.010 | SiHa | 2 |
| 24095010 | 10.1016/j.bmc.2013.09.010 | Monocarboxylate transporter 4 | 1 |
| 27241692 | 10.1016/j.bmcl.2016.05.054 | Monocarboxylate transporter 1 | 1 |
| 27241692 | 10.1016/j.bmcl.2016.05.054 | MDA-MB-231 | 1 |
| 27241692 | 10.1016/j.bmcl.2016.05.054 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine