Compound Detail
CHEMBL4228948
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Basic Information
| ChEMBL ID | CHEMBL4228948 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CXPARKWGPNKFSP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
280.7
MW (Da)
1.83
ALogP
5
HBA
3
HBD
103.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tripartite terminase subunit 3 CHEMBL4879551 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 4.01 | 4.01 | 97000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tripartite terminase subunit 3 | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of human cytomegalovirus pHAR-UL89C expressed in Escherichia coli Ros... | 35377638 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 97000.0 | nM | 4.01 | Inhibition of HIV1 reverse transcriptase p66/p51 polymerase using PPT57 DNA/Cy5-... | 29478802 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35377638 | 10.1021/acs.jmedchem.2c00203 | Tripartite terminase subunit 3 | 3 |
| 29478802 | 10.1016/j.bmc.2018.02.017 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine