Compound Detail
CHEMBL4877189
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Basic Information
| ChEMBL ID | CHEMBL4877189 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XONKMLPDTUPNND-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
298.8
MW (Da)
2.07
ALogP
6
HBA
1
HBD
64.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tripartite terminase subunit 3 CHEMBL4879551 | IC50 | 5.24 | 5.24 | 5700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tripartite terminase subunit 3 | IC50 | = | 5700.0 | nM | 5.24 | Inhibition of human cytomegalovirus pUL89 endonuclease activity using 60 bp dsDN... | 34147908 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34147908 | 10.1016/j.ejmech.2021.113640 | Tripartite terminase subunit 3 | 3 |
| 34147908 | 10.1016/j.ejmech.2021.113640 | Unchecked | 1 |
| 34147908 | 10.1016/j.ejmech.2021.113640 | HEL 299 | 1 |
| 34147908 | 10.1016/j.ejmech.2021.113640 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine