Compound Detail
CHEMBL4084111
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 | CHEMBL4084111 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRBRBINZXUOQIP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
394.4
MW (Da)
3.13
ALogP
6
HBA
1
HBD
73.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.34 | 5.17 | 4600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4600.0 | nM | 5.34 | Inhibition of RNase H activity of full length HIV reverse transcriptase using RN... | 28182989 |
| Unchecked | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of HIV reverse transcriptase polymerase activity assessed as reductio... | 28182989 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28182989 | 10.1016/j.ejmech.2017.01.041 | Unchecked | 4 |
| 28182989 | 10.1016/j.ejmech.2017.01.041 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine