Compound Detail
CHEMBL574200
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Nc1nc2c(ncn2[C@H]2O[C@@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]2O)c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL574200 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QGWNDRXFNXRZMB-GIMIYPNGSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
443.2
MW (Da)
-2.45
ALogP
12
HBA
7
HBD
252.6
PSA (Ų)
0.23
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cell division control protein 42 homolog CHEMBL6088 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Ras-related C3 botulinum toxin substrate 1 CHEMBL6094 | IC50 | 5.75 | 5.66 | 1800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cell division control protein 42 homolog | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of Cdc42 GTPase activity assessed as incorporation of BODIPY-GTP afte... | 19716293 |
| Ras-related C3 botulinum toxin substrate 1 | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of Rac1b GTPase activity assessed as incorporation of BODIPY-GTP afte... | 19716293 |
| Ras-related C3 botulinum toxin substrate 1 | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of Rac1 GTPase activity assessed as incorporation of BODIPY-GTP after... | 19716293 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19716293 | 10.1016/j.bmcl.2009.08.037 | Ras-related C3 botulinum toxin substrate 1 | 2 |
| 19716293 | 10.1016/j.bmcl.2009.08.037 | Cell division control protein 42 homolog | 1 |
Data from ChEMBL 36 via Core Engine