Compound Detail
CHEMBL134202
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Basic Information
| ChEMBL ID | CHEMBL134202 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKRQQOQNGVNGLM-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
-0.71
ALogP
8
HBA
4
HBD
132.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| L1210 CHEMBL386 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| HFF CHEMBL614071 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| KB CHEMBL398 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Human alphaherpesvirus 1 CHEMBL377 | IC50 | 4.24 | 4.24 | 58000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human betaherpesvirus 5 | IC50 | = | 500.0 | nM | 6.3 | In vitro antiviral activity against human cytomegalovirus by plaque method. | 7562947 |
| L1210 | IC50 | = | 600.0 | nM | 6.22 | Inhibition of L1210 murine leukemic cells proliferation in vitro | 7562947 |
| HFF | IC50 | = | 2100.0 | nM | 5.68 | Visual cytotoxicity scored on HFF cells at the time of HCMV plaque enumeration. | 7562947 |
| KB | IC50 | = | 3000.0 | nM | 5.52 | In vitro inhibition of KB cell proliferation. | 7562947 |
| Human alphaherpesvirus 1 | IC50 | = | 58000.0 | nM | 4.24 | Antiviral activity against herpes simplex virus type 1(HSV-1) ELISA method | 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