Compound Detail
CHEMBL5288904
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Basic Information
| ChEMBL ID | CHEMBL5288904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFRAPHVFURUQSM-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
3.84
ALogP
5
HBA
2
HBD
109.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.61
Ki 1 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monocarboxylate transporter 4 CHEMBL2073663 | Ki | 7.29 | 7.29 | 51.0 | 1 |
| Monocarboxylate transporter 4 CHEMBL2073663 | IC50 | 6.61 | 6.61 | 243.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monocarboxylate transporter 4 | Ki | = | 51.0 | nM | 7.29 | Binding affinity to full-length C-terminal GFP-tagged human MCT4 incubated for 1... | 34382802 |
| Monocarboxylate transporter 4 | IC50 | = | 243.0 | nM | 6.61 | Binding affinity to full-length C-terminal GFP-tagged human MCT4 incubated for 1... | 34382802 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34382802 | 10.1021/acs.jmedchem.1c00448 | Monocarboxylate transporter 4 | 3 |
Data from ChEMBL 36 via Core Engine