Compound Detail
CHEMBL3582413
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Basic Information
| ChEMBL ID | CHEMBL3582413 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AISGAELWENFDCQ-SDNWHVSQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
2.86
ALogP
3
HBA
1
HBD
64.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monocarboxylate transporter 1 CHEMBL2073709 | IC50 | 7.06 | 7.01 | 88.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monocarboxylate transporter 1 | IC50 | = | 88.0 | nM | 7.06 | Inhibition Assay: The entire lactate uptake studies for the inhibition of MCT1 w... | - |
| Monocarboxylate transporter 1 | IC50 | = | 110.0 | nM | 6.96 | Inhibition of MCT1-mediated lactate transport in rat RBE4 cells incubated for 15... | 26005533 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26005533 | 10.1021/acsmedchemlett.5b00049 | Monocarboxylate transporter 1 | 1 |
Data from ChEMBL 36 via Core Engine