Compound Detail
CHEMBL523302
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 | CHEMBL523302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHHVTQYJSISCSQ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
304.3
MW (Da)
2.11
ALogP
6
HBA
2
HBD
100.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.19
IC50 1 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
| Human immunodeficiency virus CHEMBL613758 | EC50 | 5.19 | 5.19 | 6400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 3500.0 | nM | 5.46 | Inhibition of HIV1 recombinant integrase strand transfer activity | 19217781 |
| Human immunodeficiency virus | EC50 | = | 6400.0 | nM | 5.19 | Antiviral activity against HIV by pseudo-type HIV assay | 19217781 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19217781 | 10.1016/j.bmcl.2009.01.090 | Human immunodeficiency virus type 1 integrase | 1 |
| 19217781 | 10.1016/j.bmcl.2009.01.090 | Human immunodeficiency virus | 1 |
Data from ChEMBL 36 via Core Engine