Compound Detail
CHEMBL3233203
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3233203 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HIGGTDYQNPXEFT-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
1.51
ALogP
6
HBA
3
HBD
117.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.19
Kd 1 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase CHEMBL3217379 | Kd | 5.17 | 5.17 | 6700.0 | 1 |
| 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase CHEMBL3217379 | IC50 | 4.19 | 4.19 | 64000.0 | 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 | = | 6700.0 | nM | 5.17 | Binding affinity to GST-tagged Escherichia coli HPPK expressed in Escherichia co... | 24613625 |
| 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase | IC50 | = | 64000.0 | nM | 4.19 | 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