Compound Detail
CHEMBL299564
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Basic Information
| ChEMBL ID | CHEMBL299564 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSJQMPDKDHPEJH-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
331.3
MW (Da)
0.75
ALogP
7
HBA
1
HBD
103.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 5 meas. best 4.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleic Acid CHEMBL345 | Kd | 4.1 | 4.055 | 79000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleic Acid | Kd | = | 79000.0 | nM | 4.1 | Binding affinity to 2-aminopurine-labeled stem loop 4 HIV1 RNA of packaging elem... | 19691339 |
| Nucleic Acid | Kd | = | 98000.0 | nM | 4.01 | Binding affinity to fluorescein-labeled 14mer stem loop 3 HIV1 RNA of packaging ... | 19691339 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19691339 | 10.1021/jm900599v | Nucleic Acid | 13 |
| 3761307 | 10.1021/jm00160a012 | P388 | 6 |
| 3761307 | 10.1021/jm00160a012 | Mus musculus | 5 |
| 3761307 | 10.1021/jm00160a012 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine