Compound Detail
CHEMBL214066
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 | CHEMBL214066 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLWJVBCUDAIKNJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
417.4
MW (Da)
4.09
ALogP
5
HBA
1
HBD
67.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 24000.0 | nM | 4.62 | Inhibition of strand transfer activity in HIV1 integrase | 16723226 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16723226 | 10.1016/j.bmcl.2006.05.018 | MT4 | 1 |
| 16723226 | 10.1016/j.bmcl.2006.05.018 | Human immunodeficiency virus 1 | 1 |
| 16723226 | 10.1016/j.bmcl.2006.05.018 | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine