Compound Detail
CHEMBL3350229
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Basic Information
| ChEMBL ID | CHEMBL3350229 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZOKDXWQSCIKCM-GVYNHYCVSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
-1.74
ALogP
9
HBA
5
HBD
152.7
PSA (Ų)
0.41
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| KB CHEMBL398 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Human alphaherpesvirus 1 CHEMBL377 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
| L1210 CHEMBL386 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| HFF CHEMBL614071 | IC50 | 4.54 | 4.54 | 29000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human betaherpesvirus 5 | IC50 | = | 900.0 | nM | 6.05 | In vitro antiviral activity against human cytomegalovirus by plaque method. | 7562947 |
| KB | IC50 | = | 2000.0 | nM | 5.7 | In vitro inhibition of KB cell proliferation. | 7562947 |
| Human alphaherpesvirus 1 | IC50 | = | 4700.0 | nM | 5.33 | Antiviral activity against herpes simplex virus type 1(HSV-1) ELISA method | 7562947 |
| L1210 | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of L1210 murine leukemic cells proliferation in vitro | 7562947 |
| HFF | IC50 | = | 29000.0 | nM | 4.54 | Visual cytotoxicity scored on HFF cells at the time of HCMV plaque enumeration. | 7562947 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7562947 | 10.1021/jm00020a027 | Human betaherpesvirus 5 | 2 |
| 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