Compound Detail
CHEMBL116338
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Basic Information
| ChEMBL ID | CHEMBL116338 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDRXDPUFXFBDSH-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
298.4
MW (Da)
-0.23
ALogP
8
HBA
4
HBD
123.4
PSA (Ų)
0.25
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 5.3 | 5.0 | 5000.0 | 2 |
| Human alphaherpesvirus 1 CHEMBL377 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human betaherpesvirus 5 | IC50 | = | 5000.0 | nM | 5.3 | Antiviral activity against human cytomegalovirus by plaque reduction assay | 8784444 |
| Human betaherpesvirus 5 | IC50 | = | 20000.0 | nM | 4.7 | Antiviral activity against human cytomegalo virus using ELISA | 8784444 |
| Human alphaherpesvirus 1 | IC50 | = | 100000.0 | nM | 4.0 | Antiviral activity against herpes simplex virus using ELISA | 8784444 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8784444 | 10.1021/jm950835y | Human betaherpesvirus 5 | 2 |
| 8784444 | 10.1021/jm950835y | Human alphaherpesvirus 1 | 1 |
| 8784444 | 10.1021/jm950835y | HFF | 1 |
| 8784444 | 10.1021/jm950835y | KB | 1 |
Data from ChEMBL 36 via Core Engine