Compound Detail
CHEMBL2180704
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Basic Information
| ChEMBL ID | CHEMBL2180704 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTUGUGXKMMPGRF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
8
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
4.94
ALogP
5
HBA
0
HBD
40.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transmissible gastroenteritis virus CHEMBL613311 | EC50 | 7.52 | 7.52 | 30.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 53.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transmissible gastroenteritis virus | EC50 | = | 30.0 | nM | 7.52 | Antiviral activity against Transmissible gastroenteritis virus infected in ST ce... | 23167614 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23167614 | 10.1021/jm300705j | No relevant target | 2 |
| 23167614 | 10.1021/jm300705j | NUGC-3 | 1 |
| 23167614 | 10.1021/jm300705j | NON-PROTEIN TARGET | 1 |
| 23167614 | 10.1021/jm300705j | SF-268 | 1 |
| 23167614 | 10.1021/jm300705j | MCF7 | 1 |
| 23167614 | 10.1021/jm300705j | NCI-H460 | 1 |
| 23167614 | 10.1021/jm300705j | Transmissible gastroenteritis virus | 1 |
| 23167614 | 10.1021/jm300705j | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine