Compound Detail
CHEMBL93425
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Basic Information
| ChEMBL ID | CHEMBL93425 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWPXHOHRDQCOKV-RXMQYKEDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
344.2
MW (Da)
-0.06
ALogP
9
HBA
4
HBD
205.4
PSA (Ų)
0.23
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 4.48 | 4.48 | 33000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 5000.0 | nM | 5.3 | Tested in vitro against human immunodeficiency virus (HIV) infected CEM cells us... | 8410987 |
| Human betaherpesvirus 5 | IC50 | = | 33000.0 | nM | 4.48 | Tested in vitro against HCMV AD-169 strain in MRC-5 cells | 8410987 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8410987 | 10.1021/jm00071a003 | CCRF-CEM | 2 |
| 8410987 | 10.1021/jm00071a003 | Human betaherpesvirus 5 | 2 |
| 8410987 | 10.1021/jm00071a003 | Human alphaherpesvirus 2 | 2 |
| 8410987 | 10.1021/jm00071a003 | Human immunodeficiency virus 1 | 1 |
| 8410987 | 10.1021/jm00071a003 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine