Compound Detail
CHEMBL3582500
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Basic Information
| ChEMBL ID | CHEMBL3582500 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JIYZMSFJSKOOBF-XYOKQWHBSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
272.3
MW (Da)
2.29
ALogP
4
HBA
1
HBD
73.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monocarboxylate transporter 1 CHEMBL4360 | IC50 | 7.32 | 7.32 | 48.0 | 1 |
| Monocarboxylate transporter 4 CHEMBL2073663 | IC50 | 7.28 | 7.28 | 53.0 | 1 |
| Monocarboxylate transporter 1 CHEMBL2073709 | IC50 | 7.23 | 7.23 | 59.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monocarboxylate transporter 1 | IC50 | = | 48.0 | nM | 7.32 | Inhibition of MCT1 (unknown origin) assessed as reduction in [14C]lactate uptake... | 32388280 |
| Monocarboxylate transporter 4 | IC50 | = | 53.0 | nM | 7.28 | Inhibition of MCT4 (unknown origin) assessed as reduction in [14C]lactate uptake... | 32388280 |
| Monocarboxylate transporter 1 | IC50 | = | 59.0 | nM | 7.23 | Inhibition Assay: The entire lactate uptake studies for the inhibition of MCT1 w... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32388280 | 10.1016/j.ejmech.2020.112393 | Monocarboxylate transporter 1 | 1 |
| 32388280 | 10.1016/j.ejmech.2020.112393 | Monocarboxylate transporter 4 | 1 |
Data from ChEMBL 36 via Core Engine