Compound Detail
CHEMBL3818168
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Basic Information
| ChEMBL ID | CHEMBL3818168 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJESTICLSKCAAZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
297.3
MW (Da)
0.47
ALogP
7
HBA
3
HBD
118.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase CHEMBL3559681 | Kd | 5.1 | 5.1 | 7900.0 | 1 |
| 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase CHEMBL3217379 | Kd | 4.63 | 4.63 | 23300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase | Kd | = | 7900.0 | nM | 5.1 | Binding affinity to biotinylated Staphylococcus aureus HPPK in presence of 1 mM ... | 27094768 |
| 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase | Kd | = | 23300.0 | nM | 4.63 | Binding affinity to biotinylated Escherichia coli HPPK expressed in Escherichia ... | 27094768 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27094768 | 10.1021/acs.jmedchem.6b00002 | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase | 1 |
| 27094768 | 10.1021/acs.jmedchem.6b00002 | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase | 1 |
Data from ChEMBL 36 via Core Engine