Compound Detail
CHEMBL517404
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Basic Information
| ChEMBL ID | CHEMBL517404 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFTHBTHVFNCSBT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
433.3
MW (Da)
4.78
ALogP
7
HBA
2
HBD
109.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 8.03 | 8.03 | 9.4 | 1 |
| Human immunodeficiency virus 2 CHEMBL380 | IC50 | 4.7 | 4.7 | 20200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 9.4 | nM | 8.03 | Antiviral activity against HIV 3B in human MT4 cells assessed as inhibition of v... | 17869386 |
| Human immunodeficiency virus 2 | IC50 | = | 20200.0 | nM | 4.7 | 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