Compound Detail
CHEMBL39414
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 | CHEMBL39414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIFLCEOPQZBFMI-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
315.8
MW (Da)
4.68
ALogP
4
HBA
2
HBD
29.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 5.47 | 5.1767 | 3390.0 | 3 |
| Human immunodeficiency virus 2 CHEMBL380 | IC50 | 5.09 | 5.09 | 8110.0 | 1 |
| Simian immunodeficiency virus CHEMBL613499 | IC50 | 5.09 | 5.09 | 8200.0 | 1 |
| C3H/3T3 CHEMBL614372 | IC50 | 4.42 | 4.42 | 38000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 3390.0 | nM | 5.47 | Concentration required to inhibit the viral (HIV-1 IIIB strain) cytopathic effec... | 12672256 |
| Human immunodeficiency virus 2 | IC50 | = | 8110.0 | nM | 5.09 | Concentration required to inhibit the viral (HIV-2 ROD) cytopathic effect by 50%... | 12672256 |
| Simian immunodeficiency virus | IC50 | = | 8200.0 | nM | 5.09 | Concentration required to inhibit the viral (SIV mac251) cytopathic effect by 50... | 12672256 |
| Human immunodeficiency virus 1 | IC50 | = | 8990.0 | nM | 5.05 | Concentration required to inhibit the viral (HIV-1 NL4.3 strain) cytopathic effe... | 12672256 |
| Human immunodeficiency virus 1 | IC50 | = | 9720.0 | nM | 5.01 | Concentration required to inhibit the viral (HIV-1 NNRTI resistant strain) cytop... | 12672256 |
| C3H/3T3 | IC50 | = | 38000.0 | nM | 4.42 | Tested for inhibitory concentration against MSV-Induced transformation of C3H/3T... | 12672256 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12672256 | 10.1021/jm0211117 | Human immunodeficiency virus 1 | 3 |
| 12672256 | 10.1021/jm0211117 | C3H/3T3 | 2 |
| 12672256 | 10.1021/jm0211117 | Human immunodeficiency virus 2 | 1 |
| 12672256 | 10.1021/jm0211117 | Simian immunodeficiency virus | 1 |
| 12672256 | 10.1021/jm0211117 | MT4 | 1 |
| 19000644 | 10.1016/j.ejmech.2008.09.043 | MT4 | 1 |
Data from ChEMBL 36 via Core Engine