Compound Detail
CHEMBL222246
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
CCc1c(C(C#N)c2c(Cl)cccc2Cl)nc(SCc2ccc([N+](=O)[O-])cc2)[nH]c1=O
Basic Information
| ChEMBL ID | CHEMBL222246 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHNUMODVUBQRJO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
475.4
MW (Da)
5.50
ALogP
6
HBA
1
HBD
112.7
PSA (Ų)
0.21
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 5.65 | 5.65 | 2220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 2220.0 | nM | 5.65 | Antiviral activity against wild type HIV1 3B in MT4 cells after 4 days by MTT me... | 17381078 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17381078 | 10.1021/jm061167r | Human immunodeficiency virus 1 | 1 |
| 17381078 | 10.1021/jm061167r | MT4 | 1 |
| 17381078 | 10.1021/jm061167r | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine