Compound Detail
CHEMBL2035004
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Basic Information
| ChEMBL ID | CHEMBL2035004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZACVEKOHHBZAQJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
236.3
MW (Da)
3.43
ALogP
2
HBA
1
HBD
45.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 100000.0 | nM | 4.0 | Antiviral activity against BVDV1 NADL ATCC VR-534 infected in MDBK cells assesse... | 22513121 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22513121 | 10.1016/j.ejmech.2012.03.038 | NON-PROTEIN TARGET | 2 |
| 22513121 | 10.1016/j.ejmech.2012.03.038 | MT4 | 1 |
| 22513121 | 10.1016/j.ejmech.2012.03.038 | Human immunodeficiency virus 1 | 1 |
| 22513121 | 10.1016/j.ejmech.2012.03.038 | ADMET | 1 |
| 22513121 | 10.1016/j.ejmech.2012.03.038 | BHK-21 | 1 |
| 22513121 | 10.1016/j.ejmech.2012.03.038 | Yellow fever virus | 1 |
| 22513121 | 10.1016/j.ejmech.2012.03.038 | Mammalian orthoreovirus 1 | 1 |
| 22513121 | 10.1016/j.ejmech.2012.03.038 | Vero | 1 |
| 22513121 | 10.1016/j.ejmech.2012.03.038 | Coxsackievirus B5 | 1 |
| 22513121 | 10.1016/j.ejmech.2012.03.038 | Poliovirus 1 | 1 |
| 22513121 | 10.1016/j.ejmech.2012.03.038 | Vesicular stomatitis Indiana virus | 1 |
| 22513121 | 10.1016/j.ejmech.2012.03.038 | Vaccinia virus | 1 |
| 22513121 | 10.1016/j.ejmech.2012.03.038 | Human alphaherpesvirus 1 | 1 |
Data from ChEMBL 36 via Core Engine