Compound Detail
CHEMBL1231519
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O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)cc1/C=C/Br
Basic Information
| ChEMBL ID | CHEMBL1231519 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKWCVKAHHUJPQO-PIXDULNESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
413.1
MW (Da)
-0.34
ALogP
7
HBA
4
HBD
151.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5000.0 | nM | 5.3 | The compound was tested for inhibition of the rate of 1 uM UDP-[3H]-GlcNAc impor... | 8709123 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3027328 | 10.1021/jm00157a022 | Human alphaherpesvirus 1 | 3 |
| 3027328 | 10.1021/jm00157a022 | Human alphaherpesvirus 2 | 3 |
| 8709123 | 10.1021/jm960175c | Unchecked | 2 |
| 3027328 | 10.1021/jm00157a022 | Vaccinia virus | 1 |
| 3027328 | 10.1021/jm00157a022 | Vesicular stomatitis virus | 1 |
Data from ChEMBL 36 via Core Engine