Compound Detail
CHEMBL5988501
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CC(C)(C)N[S+]([O-])N(CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)C1CCCCC1
Basic Information
| ChEMBL ID | CHEMBL5988501 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IOSQICIJMLLMIS-UXCDXSQRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
463.7
MW (Da)
0.91
ALogP
8
HBA
5
HBD
122.5
PSA (Ų)
0.23
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 300.0 | nM | 6.52 | BVDV antiviral and plaque assays: To evaluate antiviral activity against BVDV, a... | - |
Data from ChEMBL 36 via Core Engine