Compound Detail
CHEMBL3143717
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CC(C)(C)CCc1ccc(-c2cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3o2)cc1
Basic Information
| ChEMBL ID | CHEMBL3143717 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVFZGODVTVEORJ-DFQSSKMNSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
412.5
MW (Da)
3.28
ALogP
7
HBA
2
HBD
97.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Molecular identity unknown CHEMBL612546 | EC50 | 6.51 | 6.495 | 310.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Molecular identity unknown | EC50 | = | 310.0 | nM | 6.51 | Effective concentration required to reduce Varicella Zoster virus YS plaque form... | 15993062 |
| Molecular identity unknown | EC50 | = | 330.0 | nM | 6.48 | Effective concentration required to reduce Varicella Zoster virus OKA plaque for... | 15993062 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15993062 | 10.1016/j.bmcl.2005.05.071 | Molecular identity unknown | 4 |
| 15993062 | 10.1016/j.bmcl.2005.05.071 | No relevant target | 1 |
| 15993062 | 10.1016/j.bmcl.2005.05.071 | NON-PROTEIN TARGET | 1 |
| 15993062 | 10.1016/j.bmcl.2005.05.071 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine