Compound Detail
CHEMBL5559179
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Basic Information
| ChEMBL ID | CHEMBL5559179 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNWICAZPIPKIMY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
452.6
MW (Da)
5.41
ALogP
6
HBA
1
HBD
55.1
PSA (Ų)
0.29
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monocarboxylate transporter 1 CHEMBL4360 | Ki | 9.48 | 9.48 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monocarboxylate transporter 1 | Ki | = | 0.33 | nM | 9.48 | Binding affinity to human MCT1 assessed as inhibition constant | 38308950 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38308950 | 10.1016/j.ejmech.2024.116170 | Monocarboxylate transporter 1 | 1 |
Data from ChEMBL 36 via Core Engine