Compound Detail
CHEMBL595968
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Basic Information
| ChEMBL ID | CHEMBL595968 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOSXCWNCDIBJQC-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
291.4
MW (Da)
4.46
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.75 | 4.4667 | 17760.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 4.54 | 4.54 | 28960.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 17760.0 | nM | 4.75 | Antiviral activity against HIV1 3B in human MT2 cells assessed as inhibition of ... | 19932616 |
| Unchecked | IC50 | = | 28960.0 | nM | 4.54 | Inhibition of HIV1 3B gp41 six-helix bundle formation after 30 mins by native-po... | 19932616 |
| Human immunodeficiency virus 1 | IC50 | = | 37920.0 | nM | 4.42 | Antiviral activity against HIV1 3B in human MT2 cells assessed as reduction of v... | 19932616 |
| Human immunodeficiency virus 1 | IC50 | = | 59170.0 | nM | 4.23 | Antiviral activity against HIV1 3B in human MT2 cells assessed as inhibition of ... | 19932616 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19932616 | 10.1016/j.bmcl.2009.10.139 | Human immunodeficiency virus 1 | 3 |
| 19932616 | 10.1016/j.bmcl.2009.10.139 | Unchecked | 2 |
| 19932616 | 10.1016/j.bmcl.2009.10.139 | MT2 | 1 |
Data from ChEMBL 36 via Core Engine