Compound Detail
CHEMBL526168
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Basic Information
| ChEMBL ID | CHEMBL526168 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGXBKEFXSPFLOP-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
239.3
MW (Da)
2.27
ALogP
4
HBA
1
HBD
59.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.11
IC50 2 meas. best 4.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.11 | 5.11 | 7700.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.59 | 4.59 | 25600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 7700.0 | nM | 5.11 | Antiviral activity against HIV1 3B in human MT2 cells assessed as inhibition of ... | 19053778 |
| Human immunodeficiency virus 1 | EC50 | = | 7700.0 | nM | 5.11 | Antiviral activity against HIV1 3B infected in human MT2 cells assessed as inhib... | 22014749 |
| Unchecked | IC50 | = | 25610.0 | nM | 4.59 | Inhibition of HIV1 3B gp41 six-helix bundle formation after 30 mins by native-po... | 19053778 |
| Unchecked | IC50 | = | 25600.0 | nM | 4.59 | Inhibition of HIV1 gp41 assessed as gp41-six-helix bundle formation after 30 min... | 22014749 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19053778 | 10.1021/jm800869t | Unchecked | 2 |
| 22014749 | 10.1016/j.bmc.2011.09.047 | Unchecked | 2 |
| 19053778 | 10.1021/jm800869t | Human immunodeficiency virus 1 | 1 |
| 19053778 | 10.1021/jm800869t | MT2 | 1 |
| 22014749 | 10.1016/j.bmc.2011.09.047 | Human immunodeficiency virus 1 | 1 |
| 22014749 | 10.1016/j.bmc.2011.09.047 | MT2 | 1 |
Data from ChEMBL 36 via Core Engine