Compound Detail
CHEMBL4441189
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Basic Information
| ChEMBL ID | CHEMBL4441189 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPASQNRGPJXSGN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
440.9
MW (Da)
4.53
ALogP
9
HBA
2
HBD
95.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine hydroxymethyltransferase, mitochondrial CHEMBL4295747 | IC50 | 5.61 | 5.61 | 2450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine hydroxymethyltransferase, mitochondrial | IC50 | = | 2450.0 | nM | 5.61 | Inhibition of His-tagged human recombinant SHMT2 expressed in Escherichia coli B... | - |
Data from ChEMBL 36 via Core Engine