Compound Detail
CHEMBL1224659
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Basic Information
| ChEMBL ID | CHEMBL1224659 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXSMRDDXWJSGMC-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
193.2
MW (Da)
-0.40
ALogP
4
HBA
3
HBD
103.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.7
Ki 1 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 7.7 | 6.84 | 20.0 | 2 |
| Guanine deaminase CHEMBL3129 | Ki | 5.46 | 5.46 | 3440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 20.0 | nM | 7.7 | Binding affinity to guanine riboswitch in Bacillus subtilis | 25603286 |
| Unchecked | Kd | = | 1050.0 | nM | 5.98 | Binding affinity to Clostridium difficile [5'-32P]guaA riboswitch by polyacrylam... | 29220796 |
| Guanine deaminase | Ki | = | 3440.0 | nM | 5.46 | Inhibition of GDA by colorimetric assay | 20716488 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20716488 | 10.1016/j.bmc.2010.07.054 | Guanine deaminase | 1 |
| 25603286 | 10.1021/jm500868e | Unchecked | 1 |
| 29220796 | 10.1016/j.ejmech.2017.11.079 | Clostridioides difficile | 1 |
| 29220796 | 10.1016/j.ejmech.2017.11.079 | Escherichia coli | 1 |
| 29220796 | 10.1016/j.ejmech.2017.11.079 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine