Compound Detail
CHEMBL4072598
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Basic Information
| ChEMBL ID | CHEMBL4072598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNXNUOITJHWHJC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
3.55
ALogP
6
HBA
2
HBD
88.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L-lactate dehydrogenase A chain CHEMBL4835 | IC50 | 6.67 | 6.67 | 213.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L-lactate dehydrogenase A chain | IC50 | = | 213.0 | nM | 6.67 | Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins i... | 29120638 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29120638 | 10.1021/acs.jmedchem.7b00941 | L-lactate dehydrogenase A chain | 2 |
| 29120638 | 10.1021/acs.jmedchem.7b00941 | L-lactate dehydrogenase | 2 |
Data from ChEMBL 36 via Core Engine