Compound Detail
CHEMBL3143100
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Basic Information
| ChEMBL ID | CHEMBL3143100 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUOPPZJCJZYTQK-DJLDLDEBSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
275.3
MW (Da)
-0.47
ALogP
8
HBA
3
HBD
130.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 1 CHEMBL377 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
| KB CHEMBL398 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
| HFF CHEMBL614071 | IC50 | 4.18 | 4.18 | 66000.0 | 1 |
| L1210 CHEMBL386 | IC50 | 4.1 | 4.1 | 80000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 1 | IC50 | = | 4500.0 | nM | 5.35 | Antiviral activity against herpes simplex virus type 1(HSV-1) ELISA method | 7562947 |
| KB | IC50 | = | 25000.0 | nM | 4.6 | In vitro inhibition of KB cell proliferation. | 7562947 |
| Human betaherpesvirus 5 | IC50 | = | 35000.0 | nM | 4.46 | In vitro antiviral activity against human cytomegalovirus by plaque method. | 7562947 |
| HFF | IC50 | = | 66000.0 | nM | 4.18 | Visual cytotoxicity scored on HFF cells at the time of HCMV plaque enumeration. | 7562947 |
| L1210 | IC50 | = | 80000.0 | nM | 4.1 | Inhibition of L1210 murine leukemic cells proliferation in vitro | 7562947 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3820218 | 10.1021/jm00386a007 | L1210 | 4 |
| 3820218 | 10.1021/jm00386a007 | Vesicular stomatitis virus | 2 |
| 3820218 | 10.1021/jm00386a007 | Coxsackievirus B4 | 2 |
| 7562947 | 10.1021/jm00020a027 | Human betaherpesvirus 5 | 2 |
| 3820218 | 10.1021/jm00386a007 | Mammalian orthoreovirus 1 | 1 |
| 7562947 | 10.1021/jm00020a027 | L1210 | 1 |
| 7562947 | 10.1021/jm00020a027 | KB | 1 |
| 7562947 | 10.1021/jm00020a027 | HFF | 1 |
| 7562947 | 10.1021/jm00020a027 | Human alphaherpesvirus 1 | 1 |
| 3820218 | 10.1021/jm00386a007 | Measles morbillivirus | 1 |
| 3820218 | 10.1021/jm00386a007 | Sindbis virus | 1 |
| 3820218 | 10.1021/jm00386a007 | Human respirovirus 3 | 1 |
| 3820218 | 10.1021/jm00386a007 | Oryctolagus cuniculus | 1 |
| 3820218 | 10.1021/jm00386a007 | Vero | 1 |
| 3820218 | 10.1021/jm00386a007 | Poliovirus 1 | 1 |
| 3820218 | 10.1021/jm00386a007 | HeLa | 1 |
| 3820218 | 10.1021/jm00386a007 | Vaccinia virus | 1 |
| 3820218 | 10.1021/jm00386a007 | Human alphaherpesvirus 2 | 1 |
| 3820218 | 10.1021/jm00386a007 | Human alphaherpesvirus 1 | 1 |
Data from ChEMBL 36 via Core Engine