Compound Detail
CHEMBL4073948
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
CC(C)(NP(=O)(OCC(COP(=O)(NC(C)(C)C(=O)OCc1ccccc1)Oc1cccc2ccccc12)OCn1cnc2c(=O)[nH]c(N)nc21)Oc1cccc2ccccc12)C(=O)OCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL4073948 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQHJQKAQFFVYSR-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
1018.0
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 1 CHEMBL377 | EC50 | 6.52 | 6.16 | 300.0 | 2 |
| Human alphaherpesvirus 2 CHEMBL370 | EC50 | 6.05 | 6.05 | 900.0 | 1 |
| Human alphaherpesvirus 3 CHEMBL613132 | EC50 | 5.14 | 5.005 | 7200.0 | 2 |
| Human betaherpesvirus 5 CHEMBL371 | 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 1 | EC50 | = | 300.0 | nM | 6.52 | Antiviral activity against Herpes simplex virus 1 KOS infected in human HEL cell... | 28829913 |
| Human alphaherpesvirus 2 | EC50 | = | 900.0 | nM | 6.05 | Antiviral activity against Herpes simplex virus 2 G infected in human HEL cells ... | 28829913 |
| Human alphaherpesvirus 1 | EC50 | = | 1600.0 | nM | 5.8 | Antiviral activity against ACV-resistant thymidine kinase deficient Herpes simpl... | 28829913 |
| Human alphaherpesvirus 3 | EC50 | = | 7200.0 | nM | 5.14 | Antiviral activity against thymidine kinase deficient Varicella-Zoster virus 07-... | 28829913 |
| Human alphaherpesvirus 3 | EC50 | = | 13600.0 | nM | 4.87 | Antiviral activity against Varicella-Zoster virus OKA infected in human HEL cell... | 28829913 |
| Human betaherpesvirus 5 | EC50 | = | 50000.0 | nM | 4.3 | Antiviral activity against human cytomegalovirus Davis infected in human HEL cel... | 28829913 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28829913 | 10.1021/acs.jmedchem.7b01009 | Human alphaherpesvirus 1 | 2 |
| 28829913 | 10.1021/acs.jmedchem.7b01009 | HEL | 2 |
| 28829913 | 10.1021/acs.jmedchem.7b01009 | Human betaherpesvirus 5 | 2 |
| 28829913 | 10.1021/acs.jmedchem.7b01009 | Human alphaherpesvirus 3 | 2 |
| 28829913 | 10.1021/acs.jmedchem.7b01009 | MT4 | 1 |
| 28829913 | 10.1021/acs.jmedchem.7b01009 | Human immunodeficiency virus 1 | 1 |
| 28829913 | 10.1021/acs.jmedchem.7b01009 | CCRF-CEM | 1 |
| 28829913 | 10.1021/acs.jmedchem.7b01009 | Human alphaherpesvirus 2 | 1 |
Data from ChEMBL 36 via Core Engine