Compound Detail
CHEMBL2442508
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Basic Information
| ChEMBL ID | CHEMBL2442508 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCTFUVGCNPZNQR-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
275.3
MW (Da)
1.33
ALogP
5
HBA
1
HBD
80.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.76
IC50 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monocarboxylate transporter 4 CHEMBL2073663 | IC50 | 5.1 | 5.1 | 7900.0 | 1 |
| SiHa CHEMBL612542 | EC50 | 4.76 | 4.76 | 17500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monocarboxylate transporter 4 | IC50 | = | 7900.0 | nM | 5.1 | Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-... | 24095010 |
| SiHa | EC50 | = | 17500.0 | nM | 4.76 | 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 |
Data from ChEMBL 36 via Core Engine