Compound Detail
CHEMBL81962
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 | CHEMBL81962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPJDIPLTDHPFRM-HIQWKFPQSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
274.7
MW (Da)
-0.39
ALogP
6
HBA
2
HBD
93.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 3 CHEMBL613132 | EC50 | 6.82 | 6.82 | 150.0 | 1 |
| Human gammaherpesvirus 4 CHEMBL613124 | EC50 | 6.31 | 6.31 | 490.0 | 1 |
| ADMET CHEMBL612558 | EC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 3 | EC50 | = | 150.0 | nM | 6.82 | Effective concentration to show 50% of activity was measured on varicella zoster... | 10891113 |
| Human gammaherpesvirus 4 | EC50 | = | 490.0 | nM | 6.31 | Effective concentration to show 50% of activity was measured on Epstein Barr vir... | 10891113 |
| ADMET | EC50 | = | 18000.0 | nM | 4.75 | Effective concentration to show 50% of activity was measured on herpes simplex v... | 10891113 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10891113 | 10.1021/jm990543n | ADMET | 2 |
| 10891113 | 10.1021/jm990543n | CCRF-CEM | 2 |
| 10891113 | 10.1021/jm990543n | Human alphaherpesvirus 3 | 1 |
| 10891113 | 10.1021/jm990543n | Human gammaherpesvirus 4 | 1 |
Data from ChEMBL 36 via Core Engine