Compound Detail
CHEMBL1627079
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O=c1[nH]c(=O)c2ncn([C@@H]3O[C@H](COP(=O)([O-])O)[C@@H](O)[C@H]3O)c2[nH]1.[Na+]
Basic Information
| ChEMBL ID | CHEMBL1627079 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FVWNNNBCIYRTSW-GWTDSMLYSA-M |
| Parent Compound | CHEMBL1206243 |
| Active Moiety | CHEMBL1206243 |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
364.2
MW (Da)
-2.86
ALogP
9
HBA
6
HBD
200.0
PSA (Ų)
0.31
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orotidine 5'-phosphate decarboxylase CHEMBL4858 | Ki | 6.4 | 6.4 | 400.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.16 | 5.265 | 700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orotidine 5'-phosphate decarboxylase | Ki | = | 400.0 | nM | 6.4 | Inhibition of yeast ODCase | 18181562 |
| Unchecked | Ki | = | 700.0 | nM | 6.16 | Inhibition of human ODCase | 18181562 |
| Unchecked | Ki | = | 43000.0 | nM | 4.37 | Inhibition of Plasmodium falciparum ODCase | 18181562 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18181562 | 10.1021/jm700968x | Unchecked | 3 |
| 18181562 | 10.1021/jm700968x | Orotidine 5'-phosphate decarboxylase | 1 |
Data from ChEMBL 36 via Core Engine