Compound Detail
CHEMBL226272
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 | CHEMBL226272 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJWLQTYNNCVURN-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
416.3
MW (Da)
5.54
ALogP
4
HBA
0
HBD
46.1
PSA (Ų)
0.56
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.24 | 5.225 | 5800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 5800.0 | nM | 5.24 | Antiviral activity against HIV1 3B-induced cytopathic effect in CEM cells assess... | 17349793 |
| Human immunodeficiency virus 1 | EC50 | = | 6100.0 | nM | 5.21 | Antiviral activity against HIV1 3B-induced cytopathic effect in MT4 cells assess... | 17349793 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17349793 | 10.1016/j.bmc.2007.02.044 | Human immunodeficiency virus 1 | 3 |
| 17349793 | 10.1016/j.bmc.2007.02.044 | Unchecked | 2 |
| 17349793 | 10.1016/j.bmc.2007.02.044 | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 17349793 | 10.1016/j.bmc.2007.02.044 | MT4 | 1 |
| 17349793 | 10.1016/j.bmc.2007.02.044 | CCRF-CEM | 1 |
| 17349793 | 10.1016/j.bmc.2007.02.044 | Human immunodeficiency virus 2 | 1 |
| 18947995 | 10.1016/j.bmcl.2008.10.023 | Replicase polyprotein 1ab | 1 |
| 18947995 | 10.1016/j.bmcl.2008.10.023 | Hepatitis C virus | 1 |
| 18947995 | 10.1016/j.bmcl.2008.10.023 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine