Compound Detail
CHEMBL61716
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL61716 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYOOJSCRZQLVPB-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
333.1
MW (Da)
0.32
ALogP
8
HBA
4
HBD
112.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 5.92 | 5.46 | 1200.0 | 2 |
| Human alphaherpesvirus 1 CHEMBL377 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
| L1210 CHEMBL386 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human betaherpesvirus 5 | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of human cytomegalovirus (HCMV) in plaque reduction assay | 2163454 |
| Human alphaherpesvirus 1 | IC50 | = | 2900.0 | nM | 5.54 | Inhibition of herpes simplex virus (HSV-1) in plaque reduction assay | 2163454 |
| L1210 | IC50 | = | 3700.0 | nM | 5.43 | In vitro inhibition of L1210 cell growth to half of the control rate | 2163454 |
| Human betaherpesvirus 5 | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of human cytomegalovirus (HCMV) in plaque reduction assay | 2163454 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2163454 | 10.1021/jm00169a028 | L1210 | 2 |
| 2163454 | 10.1021/jm00169a028 | Human betaherpesvirus 5 | 2 |
| 2163454 | 10.1021/jm00169a028 | Human alphaherpesvirus 1 | 2 |
| 2163454 | 10.1021/jm00169a028 | ADMET | 1 |
| 2163454 | 10.1021/jm00169a028 | Neoplastic cell line | 1 |
Data from ChEMBL 36 via Core Engine