Compound Detail
CHEMBL4557965
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Basic Information
| ChEMBL ID | CHEMBL4557965 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHCQBUGGYVZPRA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
2.95
ALogP
4
HBA
1
HBD
54.5
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine hydroxymethyltransferase, mitochondrial CHEMBL4295747 | IC50 | 5.81 | 5.81 | 1550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine hydroxymethyltransferase, mitochondrial | IC50 | = | 1550.0 | nM | 5.81 | Inhibition of His-tagged human recombinant SHMT2 expressed in Escherichia coli B... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4888484 | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine