Compound Detail
CHEMBL5188107
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Basic Information
| ChEMBL ID | CHEMBL5188107 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBTZMLOTPWUTHO-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
308.3
MW (Da)
2.51
ALogP
4
HBA
3
HBD
103.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.82
Kd 1 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 6.14 | 6.14 | 720.0 | 1 |
| Tripartite terminase subunit 3 CHEMBL4879551 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 720.0 | nM | 6.14 | Binding affinity to human Avi-tagged MUS81 (246 to 551 residues)/2x8His-tagged E... | 39015284 |
| Tripartite terminase subunit 3 | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of human cytomegalovirus pHAR-UL89C expressed in Escherichia coli Ros... | 35377638 |
| Unchecked | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of human Avi-tagged MUS81 (246 to 551 residues)/2x8His-tagged EME1 (2... | 39015284 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35377638 | 10.1021/acs.jmedchem.2c00203 | Tripartite terminase subunit 3 | 3 |
| 39015284 | 10.1021/acsmedchemlett.3c00453 | Unchecked | 2 |
| 35377638 | 10.1021/acs.jmedchem.2c00203 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine