Compound Detail
CHEMBL5269776
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Basic Information
| ChEMBL ID | CHEMBL5269776 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGLGFQXJBUOAAP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
129.1
MW (Da)
0.08
ALogP
4
HBA
2
HBD
83.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lactate dehydrogenase CHEMBL6071 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lactate dehydrogenase | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of recombinant Plasmodium falciparum LDH | 33569941 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33569941 | 10.1021/acs.jmedchem.0c01901 | Lactate dehydrogenase | 1 |
| 33569941 | 10.1021/acs.jmedchem.0c01901 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine