Compound Detail
CHEMBL300659
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Basic Information
| ChEMBL ID | CHEMBL300659 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WUUSWESBGKCYHF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
4.01
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| WEHI CHEMBL612804 | EC50 | 7.29 | 7.29 | 51.3 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.88 | 4.88 | 13200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| WEHI | EC50 | = | 51.29 | nM | 7.29 | Inhibition of CpG-oligodeoxynucleotides-induced immunostimulation in mouse WEHI ... | 17049254 |
| Human immunodeficiency virus 1 | EC50 | = | 13200.0 | nM | 4.88 | In vitro antiviral activity in Phytohemagglutininin stimulated human PBM cells i... | 2033597 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2033597 | 10.1021/jm00109a031 | Human immunodeficiency virus 1 | 1 |
| 2033597 | 10.1021/jm00109a031 | ADMET | 1 |
| 17049254 | 10.1016/j.bmc.2006.09.059 | WEHI | 1 |
Data from ChEMBL 36 via Core Engine