Compound Detail
CHEMBL443883
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 | CHEMBL443883 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZDOLLSEGONNFD-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
2.49
ALogP
4
HBA
1
HBD
71.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.2
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.2 | 8.2 | 6.3 | 3 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 6.3 | nM | 8.2 | Antiviral activity against HIV1 3B in human MT4 cells assessed as virus-induced ... | 18585918 |
| Human immunodeficiency virus 1 | EC50 | = | 6.299 | nM | 8.2 | Antiviral activity against Human immunodeficiency virus 1 infected human MT4 cel... | - |
| Human immunodeficiency virus 1 | EC50 | = | 6.3 | nM | 8.2 | Antiviral activity against Human immunodeficiency virus 1 infected human MT4 cel... | - |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 100.0 | nM | 7.0 | Inhibition of HIV1 reverse transcriptase RNA-dependent DNA polymerase activity a... | 18585918 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-010-9406-2 | Human immunodeficiency virus 1 | 2 |
| 18585918 | 10.1016/j.bmc.2008.06.012 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 18585918 | 10.1016/j.bmc.2008.06.012 | Human immunodeficiency virus 1 | 1 |
| 18585918 | 10.1016/j.bmc.2008.06.012 | MT4 | 1 |
| 18585918 | 10.1016/j.bmc.2008.06.012 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine