Compound Detail
CHEMBL179056
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Basic Information
| ChEMBL ID | CHEMBL179056 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMIRFRIHUZBEGR-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
366.6
MW (Da)
4.66
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 8.0 | 6.325 | 10.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 10.0 | nM | 8.0 | In vitro inhibitory concentration against HIV LAI cell line | 15771439 |
| Human immunodeficiency virus 1 | IC50 | = | 316.0 | nM | 6.5 | In vitro inhibitory concentration against HIV K103N mutant strain | 15771439 |
| Human immunodeficiency virus 1 | IC50 | = | 501.0 | nM | 6.3 | In vitro inhibitory concentration against HIV-1 Y181C mutant strain | 15771439 |
| Human immunodeficiency virus 1 | IC50 | = | 31620.0 | nM | 4.5 | In vitro inhibitory concentration against HIV Y188L mutant strain | 15771439 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15771439 | 10.1021/jm0408621 | Human immunodeficiency virus 1 | 5 |
Data from ChEMBL 36 via Core Engine