Compound Detail
CHEMBL482690
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Basic Information
| ChEMBL ID | CHEMBL482690 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LWEKFDHXJHJYGB-RXMQYKEDSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
302.2
MW (Da)
-0.47
ALogP
8
HBA
4
HBD
162.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Feline immunodeficiency virus CHEMBL613744 | EC50 | 6.92 | 6.92 | 120.0 | 1 |
| Porcine endogenous retrovirus CHEMBL613016 | EC50 | 6.55 | 6.55 | 280.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.03 | 6.03 | 940.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Feline immunodeficiency virus | EC50 | = | 120.0 | nM | 6.92 | Antiviral activity against Feline immunodeficiency virus infected in cat CRFK ce... | 23375089 |
| Porcine endogenous retrovirus | EC50 | = | 280.0 | nM | 6.55 | Antiviral activity against PERV infected in human 293T cells assessed as inhibit... | 17470654 |
| Human immunodeficiency virus 1 | EC50 | = | 940.0 | nM | 6.03 | Antiviral activity against HIV1 3B infected in human MT-2 cells assessed as redu... | 21664011 |
| Human immunodeficiency virus 1 | EC50 | = | 940.0 | nM | 6.03 | Antiviral activity against Human immunodeficiency virus 1 3B infected in human M... | 23375089 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17470654 | 10.1128/aac.00212-07 | ADMET | 1 |
| 17470654 | 10.1128/aac.00212-07 | Porcine endogenous retrovirus | 1 |
| 21664011 | 10.1016/j.ejmech.2011.05.040 | Human immunodeficiency virus 1 | 1 |
| 21664011 | 10.1016/j.ejmech.2011.05.040 | MT2 | 1 |
| 23375089 | 10.1016/j.bmc.2012.12.044 | ADMET | 1 |
| 23375089 | 10.1016/j.bmc.2012.12.044 | MT4 | 1 |
| 23375089 | 10.1016/j.bmc.2012.12.044 | Feline immunodeficiency virus | 1 |
| 23375089 | 10.1016/j.bmc.2012.12.044 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine