Compound Detail
CHEMBL5204063
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Basic Information
| ChEMBL ID | CHEMBL5204063 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRIAXBXIFGJSJO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
392.4
MW (Da)
1.74
ALogP
5
HBA
1
HBD
95.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Envelope glycoprotein gp160 CHEMBL1293311 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Envelope glycoprotein gp160 | IC50 | = | 1.5 | nM | 8.82 | Inhibition of HIV1 gp120 interaction with CD4 pretreated for 1 hr followed by TM... | 34992041 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34992041 | 10.1016/j.ejmech.2021.114078 | Envelope glycoprotein gp160 | 1 |
Data from ChEMBL 36 via Core Engine