Compound Detail
CHEMBL5985401
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Basic Information
| ChEMBL ID | CHEMBL5985401 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBNAYOBYCPXGCL-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
418.3
MW (Da)
4.69
ALogP
4
HBA
1
HBD
70.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Malignant T-cell-amplified sequence 1 CHEMBL5724622 | IC50 | 6.34 | 6.34 | 454.0 | 1 |
| Monocarboxylate transporter 1 CHEMBL4360 | IC50 | 5.1 | 5.1 | 7900.0 | 1 |
| Monocarboxylate transporter 4 CHEMBL2073663 | IC50 | 4.77 | 4.6967 | 17000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Malignant T-cell-amplified sequence 1 | IC50 | = | 454.0 | nM | 6.34 | Assay 4: MCT1-Mediated Lactate Transport in BT20 Breast Cancer Cells: MCT1 activ... | - |
| Monocarboxylate transporter 1 | IC50 | = | 7900.0 | nM | 5.1 | Biological Activity Assay 4: MCT1 activity may be measured using BT-20 breast ca... | - |
| Monocarboxylate transporter 4 | IC50 | = | 17000.0 | nM | 4.77 | Lactate Transport in MCT4-Expressing MDA-MB-453 Breast Cancer Cells: MCT4 may be... | - |
| Monocarboxylate transporter 4 | IC50 | = | 22000.0 | nM | 4.66 | Assay 2: MCT4-Mediated Lactate Transport in NCI-H358 Lung Adenocarcinoma Cells: ... | - |
| Monocarboxylate transporter 4 | IC50 | = | 22000.0 | nM | 4.66 | Biological Activity Assay 2: NCI-H358 lung adenocarcinoma cells may be used to m... | - |
Data from ChEMBL 36 via Core Engine