Compound Detail
CHEMBL2177140
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Basic Information
| ChEMBL ID | CHEMBL2177140 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJOHEOFVUALWSY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
381.5
MW (Da)
4.28
ALogP
5
HBA
1
HBD
51.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transmissible gastroenteritis virus CHEMBL613311 | EC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transmissible gastroenteritis virus | EC50 | = | 120.0 | nM | 6.92 | Antiviral activity against Transmissible gastroenteritis virus infected in ST ce... | 23167614 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23167614 | 10.1021/jm300705j | NON-PROTEIN TARGET | 1 |
| 23167614 | 10.1021/jm300705j | Transmissible gastroenteritis virus | 1 |
| 23167614 | 10.1021/jm300705j | HepG2 | 1 |
| 23167614 | 10.1021/jm300705j | NUGC-3 | 1 |
| 23167614 | 10.1021/jm300705j | MCF7 | 1 |
| 23167614 | 10.1021/jm300705j | A549 | 1 |
| 23167614 | 10.1021/jm300705j | NCI-H460 | 1 |
Data from ChEMBL 36 via Core Engine