Compound Detail
CHEMBL1160358
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Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)C(F)(F)P(=O)(O)O)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL1160358 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODWAWOIUPXBZKQ-KQYNXXCUSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
541.2
MW (Da)
-0.93
ALogP
13
HBA
7
HBD
269.9
PSA (Ų)
0.20
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Ki 1 meas. best 4.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycerol kinase CHEMBL2300 | Ki | 4.1 | 4.1 | 80000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycerol kinase | Ki | = | 80000.0 | nM | 4.1 | Tested for its binding affinity against glycerol kinase (ATP competitive inhibit... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9925726 | 10.1021/jm981072s | Unchecked | 1 |
| - | 10.1016/S0960-894X(97)10051-8 | Glycerol kinase | 1 |
| - | 10.1016/S0960-894X(97)10051-8 | No relevant target | 1 |
| - | 10.1039/C2MD20079A | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine