Compound Detail
CHEMBL4454634
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Basic Information
| ChEMBL ID | CHEMBL4454634 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USLAXXHCQNDTJX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
369.5
MW (Da)
3.07
ALogP
5
HBA
1
HBD
65.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L-lactate dehydrogenase A chain CHEMBL4835 | EC50 | 5.24 | 5.24 | 5700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L-lactate dehydrogenase A chain | EC50 | = | 5700.0 | nM | 5.24 | 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 |
Data from ChEMBL 36 via Core Engine