Compound Detail
CHEMBL4462982
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Basic Information
| ChEMBL ID | CHEMBL4462982 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SNMWTPQONZNRGN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
431.4
MW (Da)
2.94
ALogP
5
HBA
2
HBD
98.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L-lactate dehydrogenase A chain CHEMBL4835 | EC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L-lactate dehydrogenase A chain | EC50 | = | 1800.0 | nM | 5.75 | Inhibition of recombinant human full-length N-terminal His-tagged LDHA (1 to 332... | 31129449 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31129449 | 10.1016/j.ejmech.2019.05.033 | L-lactate dehydrogenase A chain | 2 |
| 31129449 | 10.1016/j.ejmech.2019.05.033 | MIA PaCa-2 | 2 |
| 31129449 | 10.1016/j.ejmech.2019.05.033 | A549 | 2 |
| 31129449 | 10.1016/j.ejmech.2019.05.033 | MCF7 | 1 |
| 31345633 | 10.1016/j.bmcl.2019.07.029 | A549 | 1 |
| 31345633 | 10.1016/j.bmcl.2019.07.029 | L-lactate dehydrogenase A chain | 1 |
| 31345633 | 10.1016/j.bmcl.2019.07.029 | NCI-H1975 | 1 |
| 31345633 | 10.1016/j.bmcl.2019.07.029 | BEAS-2B | 1 |
Data from ChEMBL 36 via Core Engine