Compound Detail
CHEMBL2180678
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
Basic Information
| ChEMBL ID | CHEMBL2180678 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDFINHSTQIXJDD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
3.90
ALogP
6
HBA
1
HBD
60.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transmissible gastroenteritis virus CHEMBL613311 | EC50 | 6.47 | 6.47 | 340.0 | 1 |
| RAW264.7 CHEMBL612557 | EC50 | 6.42 | 6.42 | 380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transmissible gastroenteritis virus | EC50 | = | 340.0 | nM | 6.47 | Antiviral activity against Transmissible gastroenteritis virus infected in ST ce... | 23167614 |
| RAW264.7 | EC50 | = | 380.0 | nM | 6.42 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 23167614 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23167614 | 10.1021/jm300705j | RAW264.7 | 4 |
| 23167614 | 10.1021/jm300705j | Transmissible gastroenteritis virus | 3 |
| 23167614 | 10.1021/jm300705j | A549 | 3 |
| 23167614 | 10.1021/jm300705j | NCI-H460 | 3 |
| 23167614 | 10.1021/jm300705j | MCF7 | 3 |
| 23167614 | 10.1021/jm300705j | NON-PROTEIN TARGET | 1 |
| 23167614 | 10.1021/jm300705j | HepG2 | 1 |
| 23167614 | 10.1021/jm300705j | NUGC-3 | 1 |
Data from ChEMBL 36 via Core Engine