Compound Detail
CHEMBL2442512
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2442512 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCDCNGXPPGQERR-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
285.3
MW (Da)
2.19
ALogP
4
HBA
1
HBD
70.8
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.92
IC50 1 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monocarboxylate transporter 4 CHEMBL2073663 | IC50 | 6.14 | 6.14 | 730.0 | 1 |
| SiHa CHEMBL612542 | EC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monocarboxylate transporter 4 | IC50 | = | 730.0 | nM | 6.14 | Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-... | 24095010 |
| SiHa | EC50 | = | 1200.0 | nM | 5.92 | 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 | Monocarboxylate transporter 4 | 2 |
| 24095010 | 10.1016/j.bmc.2013.09.010 | SiHa | 2 |
Data from ChEMBL 36 via Core Engine