Compound Detail
CHEMBL176619
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
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(N)c5ccccc5nc34)cc2)n1
Basic Information
| ChEMBL ID | CHEMBL176619 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJISHDONRUFUKX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
498.6
MW (Da)
4.43
ALogP
7
HBA
3
HBD
140.0
PSA (Ų)
0.30
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 4.86 | 4.59 | 13700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 13700.0 | nM | 4.86 | Inhibitory concentration against HIV-1 integrase by strand transfer method | 9083480 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 48300.0 | nM | 4.32 | Inhibitory concentration to inhibit HIV-1 integrase by 3' -processing method | 9083480 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9083480 | 10.1021/jm960596u | Human immunodeficiency virus type 1 integrase | 2 |
Data from ChEMBL 36 via Core Engine