Compound Detail
CHEMBL175693
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Basic Information
| ChEMBL ID | CHEMBL175693 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LGMWFTGQOJHKIC-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
356.5
MW (Da)
3.59
ALogP
5
HBA
1
HBD
62.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 8.7 | 7.76 | 2.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 2.0 | nM | 8.7 | In vitro inhibitory concentration against HIV LAI cell line | 15771439 |
| Human immunodeficiency virus 1 | IC50 | = | 8.0 | nM | 8.1 | In vitro inhibitory concentration against HIV L100I mutant strain | 15771439 |
| Human immunodeficiency virus 1 | IC50 | = | 10.0 | nM | 8.0 | In vitro inhibitory concentration against HIV K103N mutant strain | 15771439 |
| Human immunodeficiency virus 1 | IC50 | = | 50.0 | nM | 7.3 | In vitro inhibitory concentration against HIV-1 Y181C mutant strain | 15771439 |
| Human immunodeficiency virus 1 | IC50 | = | 200.0 | nM | 6.7 | In vitro inhibitory concentration against HIV Y188L mutant strain | 15771439 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15771439 | 10.1021/jm0408621 | Human immunodeficiency virus | 11 |
| 15771439 | 10.1021/jm0408621 | Human immunodeficiency virus 1 | 6 |
Data from ChEMBL 36 via Core Engine