Compound Detail
CHEMBL506639
ISOGUANINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL506639 |
| Name | ISOGUANINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRAVOWXCEBXPTN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
151.1
MW (Da)
-0.77
ALogP
4
HBA
3
HBD
100.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase CHEMBL3217379 | Kd | 5.12 | 5.12 | 7500.0 | 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 | = | 7500.0 | nM | 5.12 | Binding affinity to GST-tagged Escherichia coli HPPK expressed in Escherichia co... | 24613625 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24613625 | 10.1016/j.bmc.2014.02.022 | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase | 2 |
| 1666120 | 10.1021/np50077a014 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine