Compound Detail
CHEMBL5267349
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Basic Information
| ChEMBL ID | CHEMBL5267349 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WIQKPAGMWRUXEO-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
503.5
MW (Da)
3.94
ALogP
7
HBA
2
HBD
127.7
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.1
Ki 1 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monocarboxylate transporter 4 CHEMBL2073663 | Ki | 7.77 | 7.77 | 17.0 | 1 |
| Monocarboxylate transporter 4 CHEMBL2073663 | IC50 | 7.1 | 6.31 | 80.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 6.667 | mL.min-1.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monocarboxylate transporter 4 | Ki | = | 17.0 | nM | 7.77 | Binding affinity to full-length C-terminal GFP-tagged human MCT4 incubated for 1... | 34382802 |
| Monocarboxylate transporter 4 | IC50 | = | 80.0 | nM | 7.1 | Binding affinity to full-length C-terminal GFP-tagged human MCT4 incubated for 1... | 34382802 |
| Monocarboxylate transporter 4 | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of human MCT4 in human MDA-MB-231 cells assessed as inhibition of lac... | 34382802 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34382802 | 10.1021/acs.jmedchem.1c00448 | Monocarboxylate transporter 4 | 3 |
| 34382802 | 10.1021/acs.jmedchem.1c00448 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine