Compound Detail
CHEMBL1257009
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CCCCCCCC/C=C\CCCCCCCC(=O)Nc1ncnc2c1ncn2CCOCP(=O)([O-])[O-].[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL1257009 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVJBYSBFIOOZLF-XXAVUKJNSA-L |
| Parent Compound | CHEMBL1618329 |
| Active Moiety | CHEMBL1618329 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
537.6
MW (Da)
5.95
ALogP
7
HBA
3
HBD
139.5
PSA (Ų)
0.10
QED
2
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BK polyomavirus CHEMBL4888480 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BK polyomavirus | EC50 | = | 1000.0 | nM | 6.0 | Antimicrobial activity against BK polyomavirus ATCC VR837 infected in human WI38... | 18285481 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18285481 | 10.1128/aac.01241-07 | BK polyomavirus | 1 |
| 18285481 | 10.1128/aac.01241-07 | ADMET | 1 |
| 18285481 | 10.1128/aac.01241-07 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine