Compound Detail
CHEMBL2311096
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Basic Information
| ChEMBL ID | CHEMBL2311096 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHPIJEVWOFSAIQ-KVQBGUIXSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
251.2
MW (Da)
-0.88
ALogP
7
HBA
4
HBD
130.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.35 | 5.11 | 4500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4500.0 | nM | 5.35 | Compound along with 10 uM of erythro-9-(2-hydroxy-3-nonyl)adenine (EHNA) was tes... | 3874961 |
| Unchecked | IC50 | = | 13500.0 | nM | 4.87 | Compound evaluated for the inhibitory concentration of S49 Mouse Lymphoma T-cell... | 3874961 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3820218 | 10.1021/jm00386a007 | L1210 | 4 |
| 3874961 | 10.1021/jm00146a020 | Unchecked | 2 |
| 3820218 | 10.1021/jm00386a007 | Vesicular stomatitis virus | 2 |
| 3820218 | 10.1021/jm00386a007 | Coxsackievirus B4 | 2 |
| 3820218 | 10.1021/jm00386a007 | Oryctolagus cuniculus | 1 |
| 3820218 | 10.1021/jm00386a007 | Human alphaherpesvirus 1 | 1 |
| 3820218 | 10.1021/jm00386a007 | Human alphaherpesvirus 2 | 1 |
| 3820218 | 10.1021/jm00386a007 | Vaccinia virus | 1 |
| 3820218 | 10.1021/jm00386a007 | HeLa | 1 |
| 3820218 | 10.1021/jm00386a007 | Poliovirus 1 | 1 |
| 3820218 | 10.1021/jm00386a007 | Vero | 1 |
| 3820218 | 10.1021/jm00386a007 | Mammalian orthoreovirus 1 | 1 |
| 3820218 | 10.1021/jm00386a007 | Human respirovirus 3 | 1 |
| 3820218 | 10.1021/jm00386a007 | Sindbis virus | 1 |
| 3820218 | 10.1021/jm00386a007 | Measles morbillivirus | 1 |
Data from ChEMBL 36 via Core Engine