Compound Detail
CHEMBL474164
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O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(I)c1F
Basic Information
| ChEMBL ID | CHEMBL474164 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJSVPTGGTXIMLP-UMMCILCDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
468.1
MW (Da)
-1.99
ALogP
8
HBA
5
HBD
171.3
PSA (Ų)
0.19
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Uridine 5'-monophosphate synthase CHEMBL5216 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Uridine 5'-monophosphate synthase | Ki | = | 1100.0 | nM | 5.96 | Irreversible inhibition of human ODCase | 19260677 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19260677 | 10.1021/jm801224t | Uridine 5'-monophosphate synthase | 2 |
Data from ChEMBL 36 via Core Engine