Compound Detail
CHEMBL190729
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 | CHEMBL190729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMQGUMRNTBJHEA-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
355.8
MW (Da)
3.84
ALogP
5
HBA
1
HBD
64.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.82
IC50 1 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.82 | 7.82 | 15.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 15.0 | nM | 7.82 | Antiviral activity against Human immunodeficiency virus 1 3B | 19632850 |
| Human immunodeficiency virus 1 | IC50 | = | 42.0 | nM | 7.38 | Concentration required to inhibit 50% viral production of human immunodeficiency... | 15801834 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15801834 | 10.1021/jm049606e | Human immunodeficiency virus 1 | 1 |
| 19632850 | 10.1016/j.bmc.2009.06.060 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine