Compound Detail
CHEMBL2382397
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Basic Information
| ChEMBL ID | CHEMBL2382397 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMHBZBTWXBKNSS-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
445.3
MW (Da)
4.65
ALogP
5
HBA
2
HBD
98.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.56
Kd 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L-lactate dehydrogenase A chain CHEMBL4835 | IC50 | 4.56 | 4.56 | 27600.0 | 1 |
| L-lactate dehydrogenase B chain CHEMBL4940 | IC50 | 4.03 | 4.03 | 93000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L-lactate dehydrogenase A chain | IC50 | = | 27600.0 | nM | 4.56 | Inhibition of human recombinant carboxy-terminal his-tagged LDHA (1 to 331) expr... | 23628333 |
| L-lactate dehydrogenase B chain | IC50 | = | 93000.0 | nM | 4.03 | Inhibition of human recombinant carboxy-terminal his-tagged LDHB (1 to 333) expr... | 23628333 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23628333 | 10.1016/j.bmcl.2013.04.001 | L-lactate dehydrogenase A chain | 2 |
| 23628333 | 10.1016/j.bmcl.2013.04.001 | L-lactate dehydrogenase B chain | 1 |
Data from ChEMBL 36 via Core Engine