Compound Detail
CHEMBL192301
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Basic Information
| ChEMBL ID | CHEMBL192301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFLZCFZSKLISNX-QHHAFSJGSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
325.2
MW (Da)
0.49
ALogP
9
HBA
3
HBD
145.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 2 CHEMBL370 | EC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 2 | EC50 | = | 50000.0 | nM | 4.3 | Effective concentration required to inhibit herpes simplex virus 2 in vero cells... | 15634003 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15634003 | 10.1021/jm040149b | Human alphaherpesvirus 1 | 3 |
| 15634003 | 10.1021/jm040149b | Human betaherpesvirus 5 | 2 |
| 15634003 | 10.1021/jm040149b | NON-PROTEIN TARGET | 2 |
| 15634003 | 10.1021/jm040149b | Human alphaherpesvirus 2 | 2 |
| 15634003 | 10.1021/jm040149b | HFF | 2 |
| 15634003 | 10.1021/jm040149b | Human gammaherpesvirus 4 | 2 |
| 15634003 | 10.1021/jm040149b | Hepatitis B virus | 1 |
| 15634003 | 10.1021/jm040149b | Daudi | 1 |
| 15634003 | 10.1021/jm040149b | ADMET | 1 |
| 15634003 | 10.1021/jm040149b | MEF | 1 |
| 15634003 | 10.1021/jm040149b | Molecular identity unknown | 1 |
Data from ChEMBL 36 via Core Engine