Compound Detail
CHEMBL453345
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Basic Information
| ChEMBL ID | CHEMBL453345 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEGSRRZNUYHJQB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
554.2
MW (Da)
6.78
ALogP
7
HBA
2
HBD
95.8
PSA (Ų)
0.27
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 6.16 | 6.16 | 693.0 | 1 |
| Human immunodeficiency virus 2 CHEMBL380 | IC50 | 5.01 | 5.01 | 9710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 693.0 | nM | 6.16 | Antiviral activity against HIV 3B in human MT4 cells assessed as inhibition of v... | 17869386 |
| Human immunodeficiency virus 2 | IC50 | = | 9710.0 | nM | 5.01 | Antiviral activity against HIV2 ROD in human MT4 cells assessed as inhibition of... | 17869386 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17869386 | 10.1016/j.ejmech.2007.08.001 | Human immunodeficiency virus 1 | 1 |
| 17869386 | 10.1016/j.ejmech.2007.08.001 | Human immunodeficiency virus 2 | 1 |
| 17869386 | 10.1016/j.ejmech.2007.08.001 | MT4 | 1 |
| 17869386 | 10.1016/j.ejmech.2007.08.001 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine