Compound Detail
CHEMBL549750
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 | CHEMBL549750 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEQFDUMJMQTGNQ-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
417.2
MW (Da)
3.46
ALogP
5
HBA
2
HBD
103.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.3
EC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 7.3 | 7.3 | 50.0 | 2 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 50.0 | nM | 7.3 | Inhibition of HIV1 integrase strand transfer activity | 19719237 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 50.12 | nM | 7.3 | Inhibition of HIV-1 integrase | 20488589 |
| Human immunodeficiency virus 1 | EC50 | = | 2000.0 | nM | 5.7 | Antiviral activity against HIV1 3B infected in human MT4 cells assessed as inhib... | 19719237 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19719237 | 10.1021/jm900460z | Human immunodeficiency virus type 1 integrase | 1 |
| 19719237 | 10.1021/jm900460z | Human immunodeficiency virus 1 | 1 |
| 19719237 | 10.1021/jm900460z | MT4 | 1 |
| 20488589 | 10.1016/j.ejmech.2010.04.030 | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine