Compound Detail
CHEMBL52943
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Basic Information
| ChEMBL ID | CHEMBL52943 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUVRWTGJPUZAMO-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
289.6
MW (Da)
3.76
ALogP
4
HBA
2
HBD
63.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEL CHEMBL613888 | IC50 | 5.33 | 4.915 | 4700.0 | 2 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 5.05 | 5.05 | 8900.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.64 | 4.495 | 23000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEL | IC50 | = | 4700.0 | nM | 5.33 | Inhibition of human CMV DNA synthesis in CMV-infected HEL cells. | 7752205 |
| Trypanosoma brucei brucei | IC50 | = | 8900.0 | nM | 5.05 | Antitrypanosomal activity against bloodstream form Trypanosoma brucei brucei Lis... | 29271204 |
| HeLa | IC50 | = | 23000.0 | nM | 4.64 | Inhibition of [3H]thymidine incorporation into the DNA of uninfected HeLa cells | 7752206 |
| HEL | IC50 | = | 32000.0 | nM | 4.5 | Inhibition against DNA of uninfected HEL cells by incorporation of [3H]TdR. | 7752205 |
| HeLa | IC50 | = | 45000.0 | nM | 4.35 | Inhibition of HSV-1 DNA synthesis in virus-infected HeLa cells | 7752206 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7752205 | 10.1021/jm00010a026 | HEL | 3 |
| 7752206 | 10.1021/jm00010a027 | HeLa | 2 |
| 29271204 | 10.1021/acs.jmedchem.7b01654 | S-adenosylmethionine decarboxylase proenzyme | 2 |
| 7752206 | 10.1021/jm00010a027 | DNA helicase/primase complex protein | 1 |
| 29271204 | 10.1021/acs.jmedchem.7b01654 | Unchecked | 1 |
| 29271204 | 10.1021/acs.jmedchem.7b01654 | Trypanosoma brucei brucei | 1 |
Data from ChEMBL 36 via Core Engine