Compound Detail
CHEMBL4126746
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Basic Information
| ChEMBL ID | CHEMBL4126746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFJPRTWIVYNDMX-IBGZPJMESA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
2.29
ALogP
6
HBA
1
HBD
54.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.41
IC50 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L-lactate dehydrogenase A chain CHEMBL4835 | EC50 | 6.41 | 6.41 | 390.0 | 1 |
| MG-63 CHEMBL614347 | IC50 | 5.5 | 5.5 | 3180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L-lactate dehydrogenase A chain | EC50 | = | 390.0 | nM | 6.41 | Inhibition of human LDH5 using pyruvate as substrate after 10 mins | 29861142 |
| MG-63 | IC50 | = | 3180.0 | nM | 5.5 | Antiproliferative activity against human MG63 cells after 72 hrs by MTT assay | 29861142 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29861142 | 10.1016/j.bmcl.2018.05.052 | L-lactate dehydrogenase A chain | 6 |
| 29861142 | 10.1016/j.bmcl.2018.05.052 | MG-63 | 3 |
Data from ChEMBL 36 via Core Engine