Compound Detail
CHEMBL77436
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 | CHEMBL77436 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CXZXLLVNQYUMAW-JXMROGBWSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
216.2
MW (Da)
1.74
ALogP
3
HBA
1
HBD
64.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.85
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monocarboxylate transporter 1 CHEMBL2073709 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monocarboxylate transporter 1 | IC50 | = | 140.0 | nM | 6.85 | Inhibition of MCT1-mediated lactate transport in rat RBE4 cells incubated for 15... | 26005533 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2552117 | 10.1021/jm00130a020 | Epidermal growth factor receptor | 2 |
| 22094280 | 10.1016/j.bmc.2011.10.061 | Unchecked | 2 |
| 22094280 | 10.1016/j.bmc.2011.10.061 | Prothrombin | 1 |
| 26005533 | 10.1021/acsmedchemlett.5b00049 | Monocarboxylate transporter 1 | 1 |
Data from ChEMBL 36 via Core Engine