Compound Detail
CHEMBL3317475
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Basic Information
| ChEMBL ID | CHEMBL3317475 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKNIUMOCTUVVQL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
316.2
MW (Da)
3.59
ALogP
3
HBA
1
HBD
58.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.55 | 4.55 | 28000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 28000.0 | nM | 4.55 | Antiviral activity against HIV-13B infected in MT4 cells assessed as protection ... | 25014745 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25014745 | 10.1016/j.ejmech.2014.07.011 | NON-PROTEIN TARGET | 4 |
| 25014745 | 10.1016/j.ejmech.2014.07.011 | ADMET | 3 |
| 25014745 | 10.1016/j.ejmech.2014.07.011 | Human immunodeficiency virus 1 | 1 |
| 25014745 | 10.1016/j.ejmech.2014.07.011 | MT4 | 1 |
| 25014745 | 10.1016/j.ejmech.2014.07.011 | Yellow fever virus | 1 |
| 25014745 | 10.1016/j.ejmech.2014.07.011 | Coxsackievirus B5 | 1 |
| 25014745 | 10.1016/j.ejmech.2014.07.011 | Human poliovirus 1 strain Sabin | 1 |
| 25014745 | 10.1016/j.ejmech.2014.07.011 | Vesicular stomatitis Indiana virus | 1 |
| 25014745 | 10.1016/j.ejmech.2014.07.011 | Human alphaherpesvirus 1 | 1 |
Data from ChEMBL 36 via Core Engine