Compound Detail
CHEMBL1088991
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Basic Information
| ChEMBL ID | CHEMBL1088991 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODHOWXQIDMYJBA-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
296.3
MW (Da)
3.10
ALogP
4
HBA
2
HBD
100.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.1
IC50 2 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bovine viral diarrhea virus 1 CHEMBL612571 | EC50 | 6.1 | 6.1 | 800.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Hepatitis C virus CHEMBL379 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
| Hepatitis C virus CHEMBL379 | EC50 | 4.42 | 4.42 | 38000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bovine viral diarrhea virus 1 | EC50 | = | 800.0 | nM | 6.1 | Antiviral activity against Bovine viral diarrhea virus NADL infected in MDBK cel... | 20359898 |
| Bovine viral diarrhea virus 1 | EC50 | = | 800.0 | nM | 6.1 | Antiviral activity against BVDV infected in MDCK cells assessed as inhibition of... | 20638852 |
| Unchecked | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of Bovine viral diarrhea virus NADL NS5B Cdelta24 RNA dependent RNA p... | 20359898 |
| Hepatitis C virus | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of HCV 1b NS5B Cdelta21 RNA dependent RNA polymerase expressed in Esc... | 20359898 |
| Hepatitis C virus | EC50 | = | 38000.0 | nM | 4.42 | Antiviral activity against HCV Con1 expressed in human HuH7 cells assessed as NS... | 20359898 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20359898 | 10.1016/j.bmc.2010.02.037 | Bovine viral diarrhea virus 1 | 4 |
| 20359898 | 10.1016/j.bmc.2010.02.037 | ADMET | 3 |
| 20359898 | 10.1016/j.bmc.2010.02.037 | Unchecked | 3 |
| 20359898 | 10.1016/j.bmc.2010.02.037 | Hepatitis C virus | 2 |
| 20638852 | 10.1016/j.bmc.2010.06.065 | Bovine viral diarrhea virus 1 | 2 |
| 20359898 | 10.1016/j.bmc.2010.02.037 | Coxsackievirus B2 | 1 |
| 20359898 | 10.1016/j.bmc.2010.02.037 | Yellow fever virus | 1 |
| 20359898 | 10.1016/j.bmc.2010.02.037 | Vero | 1 |
| 20359898 | 10.1016/j.bmc.2010.02.037 | MT4 | 1 |
| 20359898 | 10.1016/j.bmc.2010.02.037 | Poliovirus 1 | 1 |
| 20359898 | 10.1016/j.bmc.2010.02.037 | Human alphaherpesvirus 1 | 1 |
| 20359898 | 10.1016/j.bmc.2010.02.037 | Human immunodeficiency virus 1 | 1 |
| 20359898 | 10.1016/j.bmc.2010.02.037 | Vesicular stomatitis virus | 1 |
| 20638852 | 10.1016/j.bmc.2010.06.065 | MDCK | 1 |
Data from ChEMBL 36 via Core Engine