Compound Detail
CHEMBL345088
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C[C@@H]1C(=O)N(C(=O)C2CC2)[C@H]2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)Cc3ccccc3)[C@H]12
Basic Information
| ChEMBL ID | CHEMBL345088 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTPNOCAYGQBYMT-MVJPYGJCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
459.6
MW (Da)
1.37
ALogP
5
HBA
0
HBD
95.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Capsid scaffolding protein CHEMBL3771 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Capsid scaffolding protein | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of human cytomegalovirus protease in HCMV pNA assay. | 14521407 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14521407 | 10.1021/jm030810w | Capsid scaffolding protein | 1 |
Data from ChEMBL 36 via Core Engine