Compound Detail
CHEMBL92761
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 | CHEMBL92761 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDQMGQXMJIFSNJ-RXMQYKEDSA-N |
7
Targets
8
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
303.2
MW (Da)
-0.35
ALogP
8
HBA
4
HBD
156.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.0
EC50 3 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| CCRF-CEM CHEMBL382 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
| MRC5 CHEMBL614181 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
| MT4 CHEMBL388 | EC50 | 4.72 | 4.62 | 19000.0 | 2 |
| Human alphaherpesvirus 2 CHEMBL370 | IC50 | 4.09 | 4.09 | 82000.0 | 1 |
| Vero CHEMBL391 | IC50 | 4.09 | 4.09 | 82000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM | EC50 | = | 1000.0 | nM | 6.0 | In vitro anti -HIV activity tested against CEM cells infected with HIV by XTT as... | 1323678 |
| Human immunodeficiency virus 1 | IC50 | = | 1000.0 | nM | 6.0 | Tested in vitro against human immunodeficiency virus (HIV) infected CEM cells us... | 8410987 |
| Human betaherpesvirus 5 | IC50 | = | 16000.0 | nM | 4.8 | Tested in vitro against HCMV AD-169 strain in MRC-5 cells | 8410987 |
| MRC5 | IC50 | = | 16000.0 | nM | 4.8 | In vitro antiherpesvirus activity against MRC-5 cells infected with HCMV (AD-169... | 1323678 |
| MT4 | EC50 | = | 19000.0 | nM | 4.72 | Protection of MT-4 cells against the cytopathic effect of HIV-1 (4 days) | 7562935 |
| MT4 | EC50 | = | 30000.0 | nM | 4.52 | Protection of MT-4 cells against the cytopathic effect of HIV-2 (8 days) | 7562935 |
| Human alphaherpesvirus 2 | IC50 | = | 82000.0 | nM | 4.09 | Tested in vitro against HSV 2 G strain in vero cells | 8410987 |
| Vero | IC50 | = | 82000.0 | nM | 4.09 | In vitro antiherpesvirus activity against vero cells infected with HSV-2(G strai... | 1323678 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1323678 | 10.1021/jm00094a005 | CCRF-CEM | 3 |
| 7562935 | 10.1021/jm00020a015 | MT4 | 3 |
| 8410987 | 10.1021/jm00071a003 | CCRF-CEM | 2 |
| 8410987 | 10.1021/jm00071a003 | Human betaherpesvirus 5 | 2 |
| 8410987 | 10.1021/jm00071a003 | Human alphaherpesvirus 2 | 2 |
| 1323678 | 10.1021/jm00094a005 | MRC5 | 2 |
| 1323678 | 10.1021/jm00094a005 | Vero | 2 |
| 7562935 | 10.1021/jm00020a015 | Unchecked | 2 |
| 8410987 | 10.1021/jm00071a003 | Human immunodeficiency virus 1 | 1 |
| 8410987 | 10.1021/jm00071a003 | Unchecked | 1 |
| 1323678 | 10.1021/jm00094a005 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine