Compound Detail
CHEMBL2092780
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Basic Information
| ChEMBL ID | CHEMBL2092780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGGPCPMMPFBBII-IOSLPCCCSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
282.3
MW (Da)
-1.67
ALogP
9
HBA
5
HBD
146.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 4.13 | 4.13 | 74000.0 | 2 |
| Human alphaherpesvirus 1 CHEMBL377 | IC50 | 4.05 | 4.05 | 90000.0 | 1 |
| KB CHEMBL398 | IC50 | 4.05 | 4.05 | 90000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 74000.0 | nM | 4.13 | Tested for in vitro cell growth inhibition of L1210 cells | 8254613 |
| L1210 | IC50 | = | 74000.0 | nM | 4.13 | The in vitro cytotoxicity against L1210 cells was evaluated | 9057866 |
| Human alphaherpesvirus 1 | IC50 | = | 90000.0 | nM | 4.05 | Tested for antiviral activity against Herpes simplex virus type-1 using plaque a... | 8254613 |
| KB | IC50 | = | 90000.0 | nM | 4.05 | Antiviral activity was estimated by HSV-1 ELISA method. | 9057866 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9057866 | 10.1021/jm960631x | HFF | 2 |
| 8254613 | 10.1021/jm00076a011 | Human betaherpesvirus 5 | 1 |
| 8254613 | 10.1021/jm00076a011 | Human alphaherpesvirus 1 | 1 |
| 8254613 | 10.1021/jm00076a011 | HFF | 1 |
| 8254613 | 10.1021/jm00076a011 | L1210 | 1 |
| 8254613 | 10.1021/jm00076a011 | Homo sapiens | 1 |
| 8254613 | 10.1021/jm00076a011 | Calu-1 | 1 |
| 8254613 | 10.1021/jm00076a011 | NON-PROTEIN TARGET | 1 |
| 8254613 | 10.1021/jm00076a011 | NCI-H417 | 1 |
| 9057866 | 10.1021/jm960631x | L1210 | 1 |
| 9057866 | 10.1021/jm960631x | KB | 1 |
Data from ChEMBL 36 via Core Engine