Compound Detail
CHEMBL379404
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Basic Information
| ChEMBL ID | CHEMBL379404 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GYFCSLRGTRHYJA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
2.58
ALogP
8
HBA
3
HBD
117.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 5000.0 | nM | 5.3 | 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