Compound Detail
CHEMBL3398372
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Basic Information
| ChEMBL ID | CHEMBL3398372 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MEHBHSCLQFAFTO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
446.6
MW (Da)
5.36
ALogP
4
HBA
0
HBD
41.4
PSA (Ų)
0.37
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 2 CHEMBL380 | EC50 | 4.53 | 4.53 | 29400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 2 | EC50 | = | 29400.0 | nM | 4.53 | Antiviral activity against HIV2 ROD infected in human MT4 cells assessed as prot... | 25682562 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25682562 | 10.1016/j.bmcl.2015.01.058 | Reverse transcriptase | 2 |
| 25682562 | 10.1016/j.bmcl.2015.01.058 | Human immunodeficiency virus 2 | 1 |
| 25682562 | 10.1016/j.bmcl.2015.01.058 | Human immunodeficiency virus 1 | 1 |
| 25682562 | 10.1016/j.bmcl.2015.01.058 | HeLa | 1 |
| 25682562 | 10.1016/j.bmcl.2015.01.058 | Unchecked | 1 |
| 26498570 | 10.1016/j.ejmech.2015.10.024 | Unchecked | 1 |
| 26498570 | 10.1016/j.ejmech.2015.10.024 | Vero | 1 |
| 26498570 | 10.1016/j.ejmech.2015.10.024 | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine