Compound Detail
CHEMBL3233204
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Basic Information
| ChEMBL ID | CHEMBL3233204 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWHRHDASDWPNQU-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
317.3
MW (Da)
0.91
ALogP
7
HBA
4
HBD
137.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.09
Kd 1 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase CHEMBL3217379 | Kd | 5.24 | 5.24 | 5800.0 | 1 |
| 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase CHEMBL3217379 | IC50 | 4.09 | 4.09 | 82000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase | Kd | = | 5800.0 | nM | 5.24 | Binding affinity to GST-tagged Escherichia coli HPPK expressed in Escherichia co... | 24613625 |
| 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase | IC50 | = | 82000.0 | nM | 4.09 | Inhibition of GST-tagged Escherichia coli HPPK expressed in Escherichia coli usi... | 24613625 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24613625 | 10.1016/j.bmc.2014.02.022 | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase | 3 |
Data from ChEMBL 36 via Core Engine