Compound Detail
CHEMBL4226761
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 | CHEMBL4226761 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXJQOWNZHOBYLN-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
311.1
MW (Da)
2.02
ALogP
5
HBA
3
HBD
103.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.7
Kd 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 6.0 | 6.0 | 1000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 1000.0 | nM | 6.0 | Binding affinity to human Avi-tagged MUS81 (246 to 551 residues)/2x8His-tagged E... | 39015284 |
| Unchecked | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of human Avi-tagged MUS81 (246 to 551 residues)/2x8His-tagged EME1 (2... | 39015284 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of HIV1 reverse transcriptase p66/p51 polymerase using PPT57 DNA/Cy5-... | 29478802 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39015284 | 10.1021/acsmedchemlett.3c00453 | Unchecked | 2 |
| 29478802 | 10.1016/j.bmc.2018.02.017 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine