Compound Detail
CHEMBL3415141
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 | CHEMBL3415141 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQSHXMGADFCSKT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
378.9
MW (Da)
5.84
ALogP
5
HBA
1
HBD
51.5
PSA (Ų)
0.48
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.23 | 5.23 | 5900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 5900.0 | nM | 5.23 | Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-labeled... | 25707013 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25707013 | 10.1016/j.ejmech.2015.02.022 | Human immunodeficiency virus 1 | 2 |
| 25707013 | 10.1016/j.ejmech.2015.02.022 | Unchecked | 2 |
| 25707013 | 10.1016/j.ejmech.2015.02.022 | MT4 | 1 |
| 25707013 | 10.1016/j.ejmech.2015.02.022 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 25707013 | 10.1016/j.ejmech.2015.02.022 | Human immunodeficiency virus 2 | 1 |
Data from ChEMBL 36 via Core Engine