Compound Detail
CHEMBL4303684
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Basic Information
| ChEMBL ID | CHEMBL4303684 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BIZNHCWFGNKBBZ-JLHYYAGUSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
288.3
MW (Da)
3.62
ALogP
3
HBA
1
HBD
66.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monocarboxylate transporter 1 CHEMBL2073709 | IC50 | 7.89 | 7.89 | 12.8 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monocarboxylate transporter 1 | IC50 | = | 12.8 | nM | 7.89 | Inhibition of MCT1 in rat Brain-like endothelial cells incubated for 15 mins in ... | 32388280 |
| Monocarboxylate transporter 1 | IC50 | = | 12.8 | nM | 7.89 | Inhibition of MCT1 in rat RBE4 cells | 38308950 |
| Unchecked | IC50 | = | 140.0 | nM | 6.85 | Inhibition of MPC in human MCF-10A cells assessed as reduction in oxygen consump... | 33534563 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33534563 | 10.1021/acs.jmedchem.0c01570 | Unchecked | 3 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 32388280 | 10.1016/j.ejmech.2020.112393 | Monocarboxylate transporter 1 | 1 |
| 38308950 | 10.1016/j.ejmech.2024.116170 | Monocarboxylate transporter 1 | 1 |
Data from ChEMBL 36 via Core Engine