Compound Detail
CHEMBL205275
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Basic Information
| ChEMBL ID | CHEMBL205275 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQBFKVCWMGGUJE-WYMPLXKRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
3.33
ALogP
8
HBA
2
HBD
91.5
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 60.0 | nM | 7.22 | Antiviral activity against HIV1 replication in CEM cell line | 16458506 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16458506 | 10.1016/j.bmcl.2006.01.050 | Human immunodeficiency virus 1 | 1 |
| 16458506 | 10.1016/j.bmcl.2006.01.050 | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine