Compound Detail
CHEMBL5998971
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Basic Information
| ChEMBL ID | CHEMBL5998971 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGPMMRULSHPCIV-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
452.6
MW (Da)
5.02
ALogP
6
HBA
1
HBD
82.8
PSA (Ų)
0.44
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monocarboxylate transporter 4 CHEMBL2073663 | IC50 | 7.43 | 7.43 | 37.0 | 3 |
| Monocarboxylate transporter 1 CHEMBL4360 | IC50 | 4.77 | 4.77 | 17000.0 | 2 |
| Malignant T-cell-amplified sequence 1 CHEMBL5724622 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monocarboxylate transporter 4 | IC50 | = | 37.0 | nM | 7.43 | Assay 3: MCT4-Mediated Lactate Transport in MDA-MB-231 Breast Cancer Cells: MDA-... | - |
| Monocarboxylate transporter 4 | IC50 | = | 37.0 | nM | 7.43 | MCT4-Mediated Lactate Transport in MDA-MB-231 Breast Cancer Cells: MDA-MB-231 br... | - |
| Monocarboxylate transporter 4 | IC50 | = | 37.0 | nM | 7.43 | Biological Activity Assay 3: MDA-MB-231 breast cancer cells may be used to measu... | - |
| Malignant T-cell-amplified sequence 1 | IC50 | = | 17000.0 | nM | 4.77 | Assay 4: MCT1-Mediated Lactate Transport in BT20 Breast Cancer Cells: MCT1 activ... | - |
| Monocarboxylate transporter 1 | IC50 | = | 17000.0 | nM | 4.77 | MCT1-Mediated Lactate Transport in BT20 Breast Cancer Cells: MCT1 activity may b... | - |
| Monocarboxylate transporter 1 | IC50 | = | 17000.0 | nM | 4.77 | Biological Activity Assay 4: MCT1 activity may be measured using BT-20 breast ca... | - |
Data from ChEMBL 36 via Core Engine