Compound Detail
CHEMBL240596
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CC(=O)OC1CCC(C(=O)Nc2ccc(-c3nc4cc(NC(=O)C5CCC(OC(C)=O)CC5)ccc4[nH]3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL240596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCDTZXJCBPANOG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
560.6
MW (Da)
5.35
ALogP
7
HBA
3
HBD
139.5
PSA (Ų)
0.33
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Vesicular stomatitis virus CHEMBL613739 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Simian virus 40 CHEMBL613051 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of IgE production in antigen-sensitized BALB/c mouse spleen cells | 17973358 |
| Vesicular stomatitis virus | IC50 | = | 1000.0 | nM | 6.0 | Antiviral activity against VSV-infected Vero cells | 17973358 |
| Simian virus 40 | IC50 | = | 1500.0 | nM | 5.82 | Antiviral activity against SV40-infected Vero cells | 17973358 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17973358 | 10.1021/jm0704907 | Unchecked | 1 |
| 17973358 | 10.1021/jm0704907 | Human alphaherpesvirus 2 | 1 |
| 17973358 | 10.1021/jm0704907 | Vaccinia virus | 1 |
| 17973358 | 10.1021/jm0704907 | Vesicular stomatitis virus | 1 |
| 17973358 | 10.1021/jm0704907 | NON-PROTEIN TARGET | 1 |
| 17973358 | 10.1021/jm0704907 | San Angelo virus | 1 |
| 17973358 | 10.1021/jm0704907 | Simian virus 40 | 1 |
| 17973358 | 10.1021/jm0704907 | Murine hepatitis virus | 1 |
| 17973358 | 10.1021/jm0704907 | Modoc virus | 1 |
| 17973358 | 10.1021/jm0704907 | Enterovirus | 1 |
Data from ChEMBL 36 via Core Engine