Compound Detail
CHEMBL5185038
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Basic Information
| ChEMBL ID | CHEMBL5185038 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFPSVHXBUFUIBQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
250.2
MW (Da)
0.98
ALogP
4
HBA
3
HBD
103.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tripartite terminase subunit 3 CHEMBL4879551 | IC50 | 6.27 | 6.27 | 540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tripartite terminase subunit 3 | IC50 | = | 540.0 | nM | 6.27 | Inhibition of human cytomegalovirus pHAR-UL89C expressed in Escherichia coli Ros... | 35377638 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35377638 | 10.1021/acs.jmedchem.2c00203 | Tripartite terminase subunit 3 | 3 |
| 35377638 | 10.1021/acs.jmedchem.2c00203 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine