Compound Detail
CHEMBL117945
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Basic Information
| ChEMBL ID | CHEMBL117945 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQBQUBRLSLFIAL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
0.67
ALogP
7
HBA
3
HBD
104.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 5.45 | 5.45 | 3560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 3560.0 | nM | 5.45 | Antiviral activity against HIV1 3B infected in human MT4 cells assessed as prote... | 24657566 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1732552 | 10.1021/jm00080a020 | NON-PROTEIN TARGET | 1 |
| 1732552 | 10.1021/jm00080a020 | MT4 | 1 |
| 1732552 | 10.1021/jm00080a020 | Unchecked | 1 |
| 24657566 | 10.1016/j.ejmech.2014.03.013 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine