Compound Detail
CHEMBL53605
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Basic Information
| ChEMBL ID | CHEMBL53605 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QUQWBNJQTLWIEB-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
295.1
MW (Da)
2.94
ALogP
5
HBA
3
HBD
92.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA helicase/primase complex protein CHEMBL4380 | IC50 | 6.07 | 5.48 | 850.0 | 2 |
| HEL CHEMBL613888 | IC50 | 5.47 | 5.385 | 3400.0 | 2 |
| HeLa CHEMBL399 | IC50 | 4.82 | 4.47 | 15000.0 | 2 |
| DNA polymerase alpha catalytic subunit CHEMBL1828 | IC50 | 4.07 | 4.07 | 85000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA helicase/primase complex protein | IC50 | = | 850.0 | nM | 6.07 | Inhibition against DNA-Dependent GTPase activity of HSV-1 helicase-primase in HS... | 7752206 |
| HEL | IC50 | = | 3400.0 | nM | 5.47 | Inhibition against DNA of uninfected HEL cells by incorporation of [3H]TdR. | 7752205 |
| HEL | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of human CMV DNA synthesis in CMV-infected HEL cells. | 7752205 |
| DNA helicase/primase complex protein | IC50 | = | 13000.0 | nM | 4.89 | Inhibition against Primase by coupled primase-DNA polymerase-I assay with the tw... | 7752206 |
| HeLa | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of [3H]thymidine incorporation into the DNA of uninfected HeLa cells | 7752206 |
| HeLa | IC50 | = | 75000.0 | nM | 4.12 | Inhibition of HSV-1 DNA synthesis in virus-infected HeLa cells | 7752206 |
| DNA polymerase alpha catalytic subunit | IC50 | = | 85000.0 | nM | 4.07 | Inhibition against DNA polymerase by direct assay with activated DNA and 25 uM d... | 7752206 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7752206 | 10.1021/jm00010a027 | DNA helicase/primase complex protein | 3 |
| 7752205 | 10.1021/jm00010a026 | HEL | 2 |
| 7752206 | 10.1021/jm00010a027 | DNA polymerase alpha catalytic subunit | 2 |
| 7752206 | 10.1021/jm00010a027 | HeLa | 2 |
| 7752206 | 10.1021/jm00010a027 | DNA topoisomerase 1 | 1 |
Data from ChEMBL 36 via Core Engine