Compound Detail
CHEMBL5282978
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CC1(CCCCCC(=O)NCCOCCOCCOCCOc2ccnc3c(S(=O)(=O)Nc4ccccc4C#Cc4ccc(C(=O)O)nc4)cccc23)C(/C=C/C=C/C=C2\N(CCCS(=O)(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)O)cc21
Basic Information
| ChEMBL ID | CHEMBL5282978 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRTKUBQOJOGREB-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
1
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1461.7
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.06
Ki 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monocarboxylate transporter 4 CHEMBL4802065 | Ki | 6.52 | 6.52 | 301.0 | 1 |
| Monocarboxylate transporter 4 CHEMBL2073663 | IC50 | 5.06 | 5.06 | 8800.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ke | 9.6 | nM | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monocarboxylate transporter 4 | Ki | = | 301.0 | nM | 6.52 | Binding affinity to full-length C-terminal GFP-tagged mouse MCT4 incubated for 1... | 34382802 |
| Monocarboxylate transporter 4 | IC50 | = | 8800.0 | nM | 5.06 | 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 | 6 |
Data from ChEMBL 36 via Core Engine