Compound Detail
CHEMBL379640
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL379640 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLOBESGUWPLLDG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
363.2
MW (Da)
3.47
ALogP
4
HBA
1
HBD
45.1
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus CHEMBL613758 | IC50 | 4.56 | 4.56 | 27600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus | IC50 | = | 27600.0 | nM | 4.56 | Inhibition of HIV replication by recombinant virus assay | 16713260 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16713260 | 10.1016/j.bmcl.2006.04.087 | Human immunodeficiency virus | 2 |
| 16713260 | 10.1016/j.bmcl.2006.04.087 | Unchecked | 1 |
| 16713260 | 10.1016/j.bmcl.2006.04.087 | ADMET | 1 |
| 16713260 | 10.1016/j.bmcl.2006.04.087 | Protein Tat | 1 |
| 16713260 | 10.1016/j.bmcl.2006.04.087 | Nuclear factor NF-kappa-B complex | 1 |
Data from ChEMBL 36 via Core Engine