Compound Detail
CHEMBL5825779
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 | CHEMBL5825779 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLFIOSBVOBQSHH-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
461.6
MW (Da)
5.06
ALogP
6
HBA
1
HBD
76.8
PSA (Ų)
0.48
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monocarboxylate transporter 4 CHEMBL2073663 | IC50 | 8.49 | 8.49 | 3.2 | 2 |
| Monocarboxylate transporter 1 CHEMBL4360 | IC50 | 4.42 | 4.42 | 38000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monocarboxylate transporter 4 | IC50 | = | 3.2 | nM | 8.49 | MCT4-Mediated Lactate Transport in MDA-MB-231 Breast Cancer Cells: MDA-MB-231 br... | - |
| Monocarboxylate transporter 4 | IC50 | = | 3.2 | nM | 8.49 | Biological Activity Assay 3: MDA-MB-231 breast cancer cells may be used to measu... | - |
| Monocarboxylate transporter 1 | IC50 | = | 38000.0 | nM | 4.42 | MCT1-Mediated Lactate Transport in BT20 Breast Cancer Cells: MCT1 activity may b... | - |
| Monocarboxylate transporter 1 | IC50 | = | 38000.0 | nM | 4.42 | Biological Activity Assay 4: MCT1 activity may be measured using BT-20 breast ca... | - |
Data from ChEMBL 36 via Core Engine