Compound Detail
CHEMBL473587
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CCc1c(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 | CHEMBL473587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBBLQWFDKGRNST-VPCXQMTMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
370.2
MW (Da)
-2.03
ALogP
8
HBA
5
HBD
171.3
PSA (Ų)
0.37
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Uridine 5'-monophosphate synthase CHEMBL5216 | Ki | 6.46 | 6.46 | 350.0 | 1 |
| Orotidine 5'-phosphate decarboxylase CHEMBL5688 | Ki | 4.54 | 4.54 | 29000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Uridine 5'-monophosphate synthase | Ki | = | 350.0 | nM | 6.46 | Reversible inhibition of human ODCase | 19260677 |
| Orotidine 5'-phosphate decarboxylase | Ki | = | 29000.0 | nM | 4.54 | Reversible inhibition of Methanobacterium thermoautotrophicum ODCase | 19260677 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19260677 | 10.1021/jm801224t | Uridine 5'-monophosphate synthase | 1 |
| 19260677 | 10.1021/jm801224t | Orotidine 5'-phosphate decarboxylase | 1 |
Data from ChEMBL 36 via Core Engine