Compound Detail
CHEMBL3735424
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Basic Information
| ChEMBL ID | CHEMBL3735424 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTYVMPFKWQEGRQ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
313.8
MW (Da)
3.85
ALogP
4
HBA
1
HBD
58.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Bovine viral diarrhea virus 1 CHEMBL612571 | EC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Hepatitis C virus CHEMBL379 | EC50 | 5.12 | 5.12 | 7500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 5000.0 | nM | 5.3 | Antiviral activity against BVDV NADL infected in MDBK cells assessed as inhibiti... | 27161176 |
| Bovine viral diarrhea virus 1 | EC50 | = | 6000.0 | nM | 5.22 | Antiviral activity against BVDV NADL ATCC VR-534 infected in MDBK cells assessed... | 26479028 |
| Hepatitis C virus | EC50 | = | 7500.0 | nM | 5.12 | Antiviral activity against Hepatitis C virus genotype 1b replicon infected in hu... | 26479028 |
| Hepatitis C virus | EC50 | = | 7500.0 | nM | 5.12 | Inhibition of HCV genotype 1b measured by sub-genome replication assay | 34998058 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26479028 | 10.1016/j.ejmech.2015.10.002 | ADMET | 4 |
| 26479028 | 10.1016/j.ejmech.2015.10.002 | Unchecked | 2 |
| 26479028 | 10.1016/j.ejmech.2015.10.002 | Human immunodeficiency virus 1 | 1 |
| 26479028 | 10.1016/j.ejmech.2015.10.002 | MT4 | 1 |
| 26479028 | 10.1016/j.ejmech.2015.10.002 | Bovine viral diarrhea virus 1 | 1 |
| 26479028 | 10.1016/j.ejmech.2015.10.002 | Yellow fever virus | 1 |
| 26479028 | 10.1016/j.ejmech.2015.10.002 | NON-PROTEIN TARGET | 1 |
| 26479028 | 10.1016/j.ejmech.2015.10.002 | Coxsackievirus B5 | 1 |
| 26479028 | 10.1016/j.ejmech.2015.10.002 | Human poliovirus 1 strain Sabin | 1 |
| 26479028 | 10.1016/j.ejmech.2015.10.002 | Respiratory syncytial virus | 1 |
| 26479028 | 10.1016/j.ejmech.2015.10.002 | Vesicular stomatitis virus | 1 |
| 26479028 | 10.1016/j.ejmech.2015.10.002 | Vaccinia virus | 1 |
| 26479028 | 10.1016/j.ejmech.2015.10.002 | Human alphaherpesvirus 1 | 1 |
| 26479028 | 10.1016/j.ejmech.2015.10.002 | Hepatitis C virus | 1 |
| 27161176 | 10.1016/j.ejmech.2016.03.080 | NON-PROTEIN TARGET | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | Hepatitis C virus | 1 |
Data from ChEMBL 36 via Core Engine