Compound Detail
CHEMBL4547456
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Basic Information
| ChEMBL ID | CHEMBL4547456 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGYLTRZXSYKXAR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
422.5
MW (Da)
4.92
ALogP
6
HBA
2
HBD
85.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine hydroxymethyltransferase, mitochondrial CHEMBL4295747 | IC50 | 5.69 | 5.69 | 2040.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine hydroxymethyltransferase, mitochondrial | IC50 | = | 2040.0 | nM | 5.69 | Inhibition of His-tagged human recombinant SHMT2 expressed in Escherichia coli B... | - |
Data from ChEMBL 36 via Core Engine