Compound Detail
CHEMBL4211455
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 | CHEMBL4211455 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPSMBZPPQXBDRL-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
448.4
MW (Da)
4.90
ALogP
6
HBA
0
HBD
86.7
PSA (Ų)
0.29
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gag-Pol polyprotein CHEMBL3638360 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 4.89 | 4.89 | 13000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gag-Pol polyprotein | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of HIV1 reverse transcriptase polymerase | 29529501 |
| Unchecked | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of HIV-1 RNA-dependent RNA polymerase | 36787657 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of HIV1 reverse transcriptase RNase H | 29529501 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of recombinant HIV-1 reverse transcriptase associated RNase H express... | 36787657 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29529501 | 10.1016/j.ejmech.2018.03.007 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 29529501 | 10.1016/j.ejmech.2018.03.007 | Gag-Pol polyprotein | 1 |
| 36787657 | 10.1016/j.ejmech.2023.115196 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 36787657 | 10.1016/j.ejmech.2023.115196 | Unchecked | 1 |
| 36787657 | 10.1016/j.ejmech.2023.115196 | Human immunodeficiency virus 1 | 1 |
| 36787657 | 10.1016/j.ejmech.2023.115196 | HEK-293T | 1 |
Data from ChEMBL 36 via Core Engine