Compound Detail
CHEMBL298714
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Basic Information
| ChEMBL ID | CHEMBL298714 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRWJPIBTQVBJSA-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
272.1
MW (Da)
2.94
ALogP
5
HBA
3
HBD
78.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEL CHEMBL613888 | IC50 | 4.6 | 4.4 | 25000.0 | 3 |
| Nucleic Acid CHEMBL345 | IC50 | 4.19 | 4.19 | 65000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEL | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of human CMV DNA synthesis in CMV-infected HEL cells. | 7752205 |
| HEL | IC50 | = | 25000.0 | nM | 4.6 | Inhibitory activity against HCMV DNA synthesis in virus infected cells | 7752205 |
| Nucleic Acid | IC50 | = | 65000.0 | nM | 4.19 | Inhibitory activity against HCMV DNA polymerase in virus infected cells | 7752205 |
| HEL | IC50 | = | 100000.0 | nM | 4.0 | Inhibition against DNA of uninfected HEL cells by incorporation of [3H]TdR. | 7752205 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7752205 | 10.1021/jm00010a026 | HEL | 4 |
| 7752206 | 10.1021/jm00010a027 | DNA helicase/primase complex protein | 2 |
| 7752205 | 10.1021/jm00010a026 | Nucleic Acid | 1 |
Data from ChEMBL 36 via Core Engine