Compound Detail
CHEMBL5431419
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5431419 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXEKVEIWVKKARW-GXDHUFHOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
2.75
ALogP
6
HBA
1
HBD
97.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monocarboxylate transporter 1 CHEMBL4360 | IC50 | 6.7 | 6.7 | 198.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monocarboxylate transporter 1 | IC50 | = | 198.0 | nM | 6.7 | 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