Compound Detail
CHEMBL2425460
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(=O)N/N=C/C(C)(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H]4[C@H]5OC[C@@]4(CCC5(C)C)CC[C@]32C)[C@@]1(C)CC#N
Basic Information
| ChEMBL ID | CHEMBL2425460 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYNNQSMWIDTBSU-QVPLERJNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
509.8
MW (Da)
7.12
ALogP
4
HBA
1
HBD
74.5
PSA (Ų)
0.32
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vesicular stomatitis Indiana virus CHEMBL613172 | EC50 | 6.39 | 6.39 | 410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vesicular stomatitis Indiana virus | EC50 | = | 410.0 | nM | 6.39 | Antiviral activity against vesicular stomatitis virus Indiana infected in pig PE... | 23974020 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23974020 | 10.1016/j.ejmech.2013.07.016 | ADMET | 1 |
| 23974020 | 10.1016/j.ejmech.2013.07.016 | Vesicular stomatitis Indiana virus | 1 |
Data from ChEMBL 36 via Core Engine