Compound Detail
CHEMBL2442509
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 | CHEMBL2442509 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTKDQPFUOFAMRL-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
7
PK Parameters
20
Publications
0
Known Names
Molecular Properties
309.3
MW (Da)
3.13
ALogP
4
HBA
1
HBD
70.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.0
EC50 1 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monocarboxylate transporter 4 CHEMBL2073663 | IC50 | 8.0 | 7.615 | 10.0 | 2 |
| Monocarboxylate transporter 1 CHEMBL4360 | IC50 | 7.23 | 7.23 | 59.0 | 2 |
| SiHa CHEMBL612542 | EC50 | 6.66 | 6.66 | 220.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 935.15 | ng.hr.mL-1 | Mus musculus |
| Cmax | 4028.19 | nM | Mus musculus |
| T1/2 | 4.5 | hr | Mus musculus |
| T1/2 | 2.0 | hr | Homo sapiens |
| T1/2 | 1.0 | hr | Homo sapiens |
| T1/2 | 1.0 | hr | Mus musculus |
| Tmax | 0.1667 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monocarboxylate transporter 4 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-... | 24095010 |
| Monocarboxylate transporter 4 | IC50 | = | 59.0 | nM | 7.23 | Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-... | 24095010 |
| Monocarboxylate transporter 1 | IC50 | = | 59.0 | nM | 7.23 | Inhibition of MCT1 in human SiHa cells by lactate reporter assay | 38308950 |
| Monocarboxylate transporter 1 | IC50 | = | 59.0 | nM | 7.23 | Affinity On-target Cellular interaction: (Inhibition of [14C]lactate uptake in S... | - |
| SiHa | EC50 | = | 220.0 | nM | 6.66 | 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 | 7 |
| 24095010 | 10.1016/j.bmc.2013.09.010 | Mus musculus | 6 |
| 24095010 | 10.1016/j.bmc.2013.09.010 | Monocarboxylate transporter 4 | 3 |
| 24095010 | 10.1016/j.bmc.2013.09.010 | No relevant target | 3 |
| 24095010 | 10.1016/j.bmc.2013.09.010 | Plasma | 2 |
| - | 10.6019/CHEMBL5724796 | Bromodomain-containing protein 4 | 1 |
| - | 10.6019/CHEMBL5724796 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5724796 | Peregrin | 1 |
| - | 10.6019/CHEMBL5724796 | Fibroblast growth factor receptor 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5724796 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5724796 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5724796 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5724796 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Casein kinase I isoform delta | 1 |
| - | 10.6019/CHEMBL5723379 | Monocarboxylate transporter 1 | 1 |
| 38308950 | 10.1016/j.ejmech.2024.116170 | Monocarboxylate transporter 1 | 1 |
| 24095010 | 10.1016/j.bmc.2013.09.010 | Liver | 1 |
| 24095010 | 10.1016/j.bmc.2013.09.010 | Liver microsomes | 1 |
| 24095010 | 10.1016/j.bmc.2013.09.010 | Hepatocyte | 1 |
Data from ChEMBL 36 via Core Engine