Compound Detail
CHEMBL3144422
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OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(Nc4cc(Cl)cc(Cl)c4)nc32)C[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL3144422 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUUYTTSVELCZEL-QJPTWQEYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
430.7
MW (Da)
3.17
ALogP
8
HBA
3
HBD
105.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.57
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of [3H]thymidine incorporation into the DNA of uninfected HeLa cells | 7752206 |
| HEL | IC50 | = | 3400.0 | nM | 5.47 | Inhibition against DNA of uninfected HEL cells by incorporation of [3H]TdR. | 7752205 |
| HEL | IC50 | = | 7900.0 | nM | 5.1 | Inhibition of human CMV DNA synthesis in CMV-infected HEL cells. | 7752205 |
| HeLa | IC50 | = | 23000.0 | nM | 4.64 | Inhibition of HSV-1 DNA synthesis in virus-infected HeLa cells | 7752206 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7752205 | 10.1021/jm00010a026 | HEL | 2 |
| 7752206 | 10.1021/jm00010a027 | HeLa | 2 |
Data from ChEMBL 36 via Core Engine