Compound Detail
CHEMBL3142825
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 | CHEMBL3142825 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLFLUOVFVHRXJX-IQEPQDSISA-N |
3
Targets
12
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
290.3
MW (Da)
-1.54
ALogP
9
HBA
4
HBD
156.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 12 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Murid betaherpesvirus 1 CHEMBL613495 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 4.85 | 4.85 | 14000.0 | 3 |
| L1210 CHEMBL386 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Murid betaherpesvirus 1 | IC50 | = | 13000.0 | nM | 4.89 | Tested for activity against mouse cytomegalovirus (MCMV) in mouse embryo fibrobl... | 2175356 |
| Human betaherpesvirus 5 | IC50 | = | 14000.0 | nM | 4.85 | Tested in vitro for antiviral activity against human cytomegalovirus (HCMV) in p... | 2175356 |
| Human betaherpesvirus 5 | IC50 | = | 14000.0 | nM | 4.85 | Tested for activity against human cytomegalovirus (HCMV) in human foreskin fibro... | 2175356 |
| Human betaherpesvirus 5 | IC50 | = | 14000.0 | nM | 4.85 | In vitro antiviral activity against human cytomegalovirus by plaque method. | 7562947 |
| L1210 | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of L1210 murine leukemic cells proliferation in vitro | 7562947 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2175356 | 10.1021/jm00174a011 | Mus musculus | 27 |
| 2175356 | 10.1021/jm00174a011 | Human alphaherpesvirus 1 | 5 |
| 2175356 | 10.1021/jm00174a011 | Human betaherpesvirus 5 | 4 |
| 2175356 | 10.1021/jm00174a011 | ADMET | 2 |
| 2175356 | 10.1021/jm00174a011 | Murid betaherpesvirus 1 | 2 |
| 2175356 | 10.1021/jm00174a011 | Human alphaherpesvirus 2 | 2 |
| 7562947 | 10.1021/jm00020a027 | Human betaherpesvirus 5 | 2 |
| 2175356 | 10.1021/jm00174a011 | HFF | 1 |
| 2175356 | 10.1021/jm00174a011 | L1210 | 1 |
| 7562947 | 10.1021/jm00020a027 | Human alphaherpesvirus 1 | 1 |
| 7562947 | 10.1021/jm00020a027 | HFF | 1 |
| 7562947 | 10.1021/jm00020a027 | KB | 1 |
| 7562947 | 10.1021/jm00020a027 | L1210 | 1 |
Data from ChEMBL 36 via Core Engine