Compound Detail
CHEMBL3099825
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CN(CC(=O)O)c1ccnc2c1cc(C(=O)NCc1ccc(Cl)cc1)c(=O)n2CC(=O)N1CC(C)(C)C1
Basic Information
| ChEMBL ID | CHEMBL3099825 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRJGTRFONPWMJF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
526.0
MW (Da)
2.37
ALogP
7
HBA
2
HBD
124.8
PSA (Ų)
0.46
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA polymerase catalytic subunit CHEMBL3414 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 50.0 | nM | 7.3 | Inhibition of GST-tagged recombinant human cytomegalovirus DNA polymerase cataly... | 24900616 |
| DNA polymerase catalytic subunit | IC50 | = | 50.0 | nM | 7.3 | HCMV Polymerase LANCE TR-FRET Assay: The assay conditions are the following: 10 ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900616 | 10.1021/ml4004099 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine