Compound Detail
CHEMBL514166
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[N-]=[N+]=Nc1c(F)c(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL514166 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARRBQQMKVQEOHQ-UMMCILCDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
383.2
MW (Da)
-1.65
ALogP
9
HBA
5
HBD
220.1
PSA (Ų)
0.17
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orotidine 5'-phosphate decarboxylase CHEMBL5688 | Ki | 6.44 | 6.44 | 360.0 | 1 |
| Uridine 5'-monophosphate synthase CHEMBL5216 | Ki | 4.74 | 4.74 | 18200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orotidine 5'-phosphate decarboxylase | Ki | = | 360.0 | nM | 6.44 | Reversible inhibition of Methanobacterium thermoautotrophicum ODCase | 19260677 |
| Uridine 5'-monophosphate synthase | Ki | = | 18200.0 | nM | 4.74 | Irreversible inhibition of human ODCase | 19260677 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19260677 | 10.1021/jm801224t | Uridine 5'-monophosphate synthase | 2 |
| 19260677 | 10.1021/jm801224t | Orotidine 5'-phosphate decarboxylase | 1 |
Data from ChEMBL 36 via Core Engine