Compound Detail
CHEMBL1765125
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[N-]=[N+]=Nc1cn([C@@H]2O[C@H](CP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O
Basic Information
| ChEMBL ID | CHEMBL1765125 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKPFMFPIJFGKPJ-UAKXSSHOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
349.2
MW (Da)
-1.72
ALogP
8
HBA
5
HBD
210.8
PSA (Ų)
0.18
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orotidine 5'-phosphate decarboxylase CHEMBL5688 | Ki | 6.2 | 6.2 | 630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orotidine 5'-phosphate decarboxylase | Ki | = | 630.0 | nM | 6.2 | Irreversible inhibition of Methanobacterium thermoautotrophicum 5'-monophosphate... | 21417464 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21417464 | 10.1021/jm101642g | Orotidine 5'-phosphate decarboxylase | 2 |
Data from ChEMBL 36 via Core Engine