Compound Detail
CHEMBL239718
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL239718 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DOXWNJWEPGVTNF-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
293.3
MW (Da)
2.40
ALogP
3
HBA
1
HBD
49.0
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.75 | 6.144 | 18.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 18.0 | nM | 7.75 | Antiviral activity against HIV1 NL43 in MT4 cells assessed as inhibition of vira... | 17910429 |
| Human immunodeficiency virus 1 | EC50 | = | 420.0 | nM | 6.38 | Antiviral activity against HIV1 with reverse transcriptase IRLL98 mutation in MT... | 17910429 |
| Human immunodeficiency virus 1 | EC50 | = | 710.0 | nM | 6.15 | Antiviral activity against HIV1 with reverse transcriptase Y181C mutation in MT4... | 17910429 |
| Human immunodeficiency virus 1 | EC50 | = | 4600.0 | nM | 5.34 | Antiviral activity against HIV1 with reverse transcriptase K103N mutation in MT4... | 17910429 |
| Human immunodeficiency virus 1 | EC50 | = | 8000.0 | nM | 5.1 | Antiviral activity against HIV1 with reverse transcriptase Y188L mutation in MT4... | 17910429 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17910429 | 10.1021/jm070811e | Human immunodeficiency virus 1 | 5 |
| 17910429 | 10.1021/jm070811e | Unchecked | 5 |
| 17910429 | 10.1021/jm070811e | MT4 | 1 |
Data from ChEMBL 36 via Core Engine