Compound Detail
CHEMBL3735991
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Basic Information
| ChEMBL ID | CHEMBL3735991 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMCBYVOCWMEWNW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
345.8
MW (Da)
3.56
ALogP
5
HBA
1
HBD
77.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coxsackievirus B5 CHEMBL613555 | EC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Human orthopneumovirus CHEMBL613127 | EC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Bovine viral diarrhea virus 1 CHEMBL612571 | EC50 | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coxsackievirus B5 | EC50 | = | 1700.0 | nM | 5.77 | Antiviral activity against human CVB5 infected in african green monkey Vero76 ce... | 26443549 |
| Human orthopneumovirus | EC50 | = | 12000.0 | nM | 4.92 | Antiviral activity against human RSV infected in african green monkey Vero76 cel... | 26443549 |
| Bovine viral diarrhea virus 1 | EC50 | = | 21000.0 | nM | 4.68 | Antiviral activity against BVDV infected in MDBK cells assessed as inhibition of... | 26443549 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26443549 | 10.1016/j.bmc.2015.09.035 | ADMET | 3 |
| 26443549 | 10.1016/j.bmc.2015.09.035 | Unchecked | 3 |
| 26443549 | 10.1016/j.bmc.2015.09.035 | MT4 | 1 |
| 26443549 | 10.1016/j.bmc.2015.09.035 | Bovine viral diarrhea virus 1 | 1 |
| 26443549 | 10.1016/j.bmc.2015.09.035 | Yellow fever virus | 1 |
| 26443549 | 10.1016/j.bmc.2015.09.035 | NON-PROTEIN TARGET | 1 |
| 26443549 | 10.1016/j.bmc.2015.09.035 | Coxsackievirus B5 | 1 |
| 26443549 | 10.1016/j.bmc.2015.09.035 | Human orthopneumovirus | 1 |
| 26443549 | 10.1016/j.bmc.2015.09.035 | Poliovirus 1 | 1 |
| 26443549 | 10.1016/j.bmc.2015.09.035 | Human immunodeficiency virus 1 | 1 |
| 26443549 | 10.1016/j.bmc.2015.09.035 | dengue virus type 2 | 1 |
| 26443549 | 10.1016/j.bmc.2015.09.035 | West Nile virus | 1 |
| 26443549 | 10.1016/j.bmc.2015.09.035 | Human alphaherpesvirus 1 | 1 |
| 26443549 | 10.1016/j.bmc.2015.09.035 | Vesicular stomatitis virus | 1 |
| 26443549 | 10.1016/j.bmc.2015.09.035 | Vaccinia virus | 1 |
Data from ChEMBL 36 via Core Engine