Compound Detail
CHEMBL3735070
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 | CHEMBL3735070 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDTJWDZJROKPIS-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
327.8
MW (Da)
4.57
ALogP
5
HBA
0
HBD
47.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.19
EC50 2 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.19 | 6.1333 | 640.0 | 3 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Bovine viral diarrhea virus 1 CHEMBL612571 | EC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 640.0 | nM | 6.19 | Inhibition of BVDV RNA-dependent RNA polymerase pre-incubated for preincubated f... | 26479028 |
| Unchecked | IC50 | = | 640.0 | nM | 6.19 | Inhibition of His tagged BVDV NS5B Cdelta24 RNA dependent RNA polymerase express... | 27161176 |
| Unchecked | IC50 | = | 960.0 | nM | 6.02 | Inhibition of His tagged BVDV NS5B Cdelta24 RNA dependent RNA polymerase K263A m... | 27161176 |
| Bovine viral diarrhea virus 1 | EC50 | = | 1300.0 | nM | 5.89 | Antiviral activity against BVDV NADL ATCC VR-534 infected in MDBK cells assessed... | 26479028 |
| NON-PROTEIN TARGET | EC50 | = | 1300.0 | nM | 5.89 | Antiviral activity against BVDV NADL infected in MDBK cells assessed as inhibiti... | 27161176 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27161176 | 10.1016/j.ejmech.2016.03.080 | Unchecked | 4 |
| 26479028 | 10.1016/j.ejmech.2015.10.002 | ADMET | 3 |
| 26479028 | 10.1016/j.ejmech.2015.10.002 | MT4 | 1 |
| 26479028 | 10.1016/j.ejmech.2015.10.002 | Human immunodeficiency virus 1 | 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 | Unchecked | 1 |
| 27161176 | 10.1016/j.ejmech.2016.03.080 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine