Compound Detail
CHEMBL348215
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Basic Information
| ChEMBL ID | CHEMBL348215 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GQKNZBNHBMKKBS-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
350.3
MW (Da)
-0.72
ALogP
9
HBA
4
HBD
180.1
PSA (Ų)
0.25
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.46
IC50 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
| Moloney murine sarcoma virus CHEMBL613501 | EC50 | 4.46 | 4.46 | 35000.0 | 1 |
| Human immunodeficiency virus 2 CHEMBL380 | EC50 | 4.11 | 4.11 | 78000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 0.3 | nM | 9.52 | Antiviral activity against HIV1 | 19112024 |
| Moloney murine sarcoma virus | EC50 | = | 35000.0 | nM | 4.46 | Antiviral activity against murine sarcoma virus | 14584956 |
| Human immunodeficiency virus 2 | EC50 | = | 78000.0 | nM | 4.11 | Antiviral activity against HIV-2 (ROD) in CEM (human leukemia) cells. | 14584956 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14584956 | 10.1021/jm030932o | NON-PROTEIN TARGET | 3 |
| 14584956 | 10.1021/jm030932o | Cytomegalovirus | 2 |
| 14584956 | 10.1021/jm030932o | Human alphaherpesvirus 3 | 2 |
| 14584956 | 10.1021/jm030932o | Human immunodeficiency virus 1 | 1 |
| 14584956 | 10.1021/jm030932o | Human immunodeficiency virus 2 | 1 |
| 14584956 | 10.1021/jm030932o | Moloney murine sarcoma virus | 1 |
| 14584956 | 10.1021/jm030932o | CCRF-CEM | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine