Compound Detail
CHEMBL4163061
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CCOC(=O)CC[C@H](NC(=O)c1ccccc1SCc1ccc2nc(OC)c(OC)nc2c1)C(=O)OCC
Basic Information
| ChEMBL ID | CHEMBL4163061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWQQUWRYXVTPKH-FQEVSTJZSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
541.6
MW (Da)
3.94
ALogP
10
HBA
1
HBD
125.9
PSA (Ų)
0.25
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29339251 | 10.1016/j.ejmech.2017.12.083 | MT4 | 1 |
| 29339251 | 10.1016/j.ejmech.2017.12.083 | Human immunodeficiency virus 1 | 1 |
| 29339251 | 10.1016/j.ejmech.2017.12.083 | Unchecked | 1 |
| 29339251 | 10.1016/j.ejmech.2017.12.083 | Bovine viral diarrhea virus 1 | 1 |
| 29339251 | 10.1016/j.ejmech.2017.12.083 | BHK-21 | 1 |
| 29339251 | 10.1016/j.ejmech.2017.12.083 | Yellow fever virus | 1 |
| 29339251 | 10.1016/j.ejmech.2017.12.083 | Mammalian orthoreovirus 1 | 1 |
| 29339251 | 10.1016/j.ejmech.2017.12.083 | Vero 76 | 1 |
| 29339251 | 10.1016/j.ejmech.2017.12.083 | Coxsackievirus B5 | 1 |
| 29339251 | 10.1016/j.ejmech.2017.12.083 | Human poliovirus 1 strain Sabin | 1 |
| 29339251 | 10.1016/j.ejmech.2017.12.083 | Human orthopneumovirus | 1 |
| 29339251 | 10.1016/j.ejmech.2017.12.083 | Vesicular stomatitis Indiana virus | 1 |
| 29339251 | 10.1016/j.ejmech.2017.12.083 | Vaccinia virus | 1 |
| 29339251 | 10.1016/j.ejmech.2017.12.083 | Human alphaherpesvirus 1 | 1 |
Data from ChEMBL 36 via Core Engine