Compound Detail
CHEMBL221079
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Basic Information
| ChEMBL ID | CHEMBL221079 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVZRMGMFFKQAKD-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
327.8
MW (Da)
4.67
ALogP
5
HBA
1
HBD
56.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.6 | 5.6 | 2500.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 2500.0 | nM | 5.6 | Antiviral activity against HIV1 3B in MT2 cells | 16931015 |
| Human immunodeficiency virus 1 | EC50 | = | 2500.0 | nM | 5.6 | Antiviral activity against wild-type HIV1 3B infected in MT2 cells assessed as r... | 24134904 |
| Human immunodeficiency virus 1 | EC50 | = | 2500.0 | nM | 5.6 | Antiviral activity against HIV1 3B infected in human MT2 cells assessed as prote... | 27485603 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27485603 | 10.1016/j.bmc.2016.07.039 | Human immunodeficiency virus 1 | 3 |
| 16931015 | 10.1016/j.bmcl.2006.08.037 | MT2 | 1 |
| 16931015 | 10.1016/j.bmcl.2006.08.037 | Human immunodeficiency virus 1 | 1 |
| 24134904 | 10.1016/j.bmc.2013.09.051 | MT2 | 1 |
| 24134904 | 10.1016/j.bmc.2013.09.051 | Human immunodeficiency virus 1 | 1 |
| 24134904 | 10.1016/j.bmc.2013.09.051 | Unchecked | 1 |
| 27485603 | 10.1016/j.bmc.2016.07.039 | MT2 | 1 |
Data from ChEMBL 36 via Core Engine