Compound Detail
CHEMBL299814
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 | CHEMBL299814 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJACMIHJVXEAGY-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
235.3
MW (Da)
1.68
ALogP
5
HBA
3
HBD
80.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
3
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 | 5.92 | 1200.0 | 1 |
| HFF CHEMBL614071 | IC50 | 5.92 | 5.26 | 1200.0 | 2 |
| Human alphaherpesvirus 1 CHEMBL377 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| KB CHEMBL398 | IC50 | 4.77 | 4.77 | 17000.0 | 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 | Antiviral activity against Human Cytomegalovirus (HCMV) replication in a plaque ... | 8632411 |
| HFF | IC50 | = | 1200.0 | nM | 5.92 | In vitro inhibition of human cytomegalovirus in HFF cells by plaque reduction as... | - |
| Human alphaherpesvirus 1 | IC50 | = | 12000.0 | nM | 4.92 | Antiviral activity against HSV-1 replication was evaluated by ELISA | 8632411 |
| KB | IC50 | = | 17000.0 | nM | 4.77 | Cytotoxic activity tested against exponentially growing KB cells, determined by ... | 8632411 |
| HFF | IC50 | = | 25000.0 | nM | 4.6 | Cytotoxicity against HFF cells, estimated by visual scoring of cells not affecte... | 8632411 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8632411 | 10.1021/jm950444j | Human betaherpesvirus 5 | 1 |
| 8632411 | 10.1021/jm950444j | Human alphaherpesvirus 1 | 1 |
| 8632411 | 10.1021/jm950444j | HFF | 1 |
| 8632411 | 10.1021/jm950444j | KB | 1 |
| 8632411 | 10.1021/jm950444j | L1210 | 1 |
| - | 10.1016/S0960-894X(00)80470-9 | HFF | 1 |
| - | 10.1016/S0960-894X(00)80470-9 | ADMET | 1 |
| - | 10.1016/S0960-894X(00)80470-9 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine