Compound Detail
CHEMBL1765124
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N.N.N#Cc1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](CP(=O)(O)O)[C@@H](O)[C@H]1F
Basic Information
| ChEMBL ID | CHEMBL1765124 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOZDRNHMBDDABC-BAZBJWKESA-N |
| Parent Compound | CHEMBL1789372 |
| Active Moiety | CHEMBL1789372 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
335.2
MW (Da)
-1.82
ALogP
7
HBA
4
HBD
165.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orotidine 5'-phosphate decarboxylase CHEMBL5688 | Ki | 4.43 | 4.43 | 37000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orotidine 5'-phosphate decarboxylase | Ki | = | 37000.0 | nM | 4.43 | Inhibition of Methanobacterium thermoautotrophicum 5'-monophosphate decarboxylas... | 21417464 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21417464 | 10.1021/jm101642g | Orotidine 5'-phosphate decarboxylase | 5 |
| 21417464 | 10.1021/jm101642g | Uridine 5'-monophosphate synthase | 1 |
Data from ChEMBL 36 via Core Engine