Compound Detail
CHEMBL138087
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C[C@@H]1C(=O)N(C(=O)C2CC2)[C@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc(-c4ccc(Cl)cc4)cc3)[C@H]12
Basic Information
| ChEMBL ID | CHEMBL138087 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDXXZYRRPKDQCK-YZEFDVQJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
520.0
MW (Da)
4.00
ALogP
4
HBA
0
HBD
78.0
PSA (Ų)
0.57
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Capsid scaffolding protein CHEMBL3771 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Capsid scaffolding protein | IC50 | = | 1400.0 | nM | 5.85 | 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