Compound Detail
CHEMBL5401494
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Basic Information
| ChEMBL ID | CHEMBL5401494 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COADEXYYPUCLJA-LFIBNONCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
3.67
ALogP
5
HBA
1
HBD
84.1
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monocarboxylate transporter 1 CHEMBL4360 | IC50 | 6.98 | 6.98 | 105.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monocarboxylate transporter 1 | IC50 | = | 105.0 | nM | 6.98 | Inhibition of MCT1 transport activity in human A549 cells using 3-BP as substrat... | 36584238 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36584238 | 10.1021/acs.jmedchem.2c01612 | Monocarboxylate transporter 1 | 1 |
| 36584238 | 10.1021/acs.jmedchem.2c01612 | Monocarboxylate transporter 4 | 1 |
| 36584238 | 10.1021/acs.jmedchem.2c01612 | A549 | 1 |
| 36584238 | 10.1021/acs.jmedchem.2c01612 | MCF7 | 1 |
| 36584238 | 10.1021/acs.jmedchem.2c01612 | NIH3T3 | 1 |
Data from ChEMBL 36 via Core Engine