Compound Detail
CHEMBL561100
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 | CHEMBL561100 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUKIZQHXWJBIDQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
420.2
MW (Da)
4.07
ALogP
4
HBA
2
HBD
96.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 7.42 | 7.42 | 38.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 38.0 | nM | 7.42 | Inhibition of HIV1 integrase strand transfer activity | 19719237 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 38.02 | nM | 7.42 | Inhibition of HIV-1 integrase | 20488589 |
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