Compound Detail
CHEMBL1956086
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Basic Information
| ChEMBL ID | CHEMBL1956086 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTQVZUFOERISFK-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
370.8
MW (Da)
4.92
ALogP
4
HBA
1
HBD
61.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.67 | 6.4667 | 21.6 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 21.6 | nM | 7.67 | Antiviral activity against wild type HIV 1 NL4-3 infected in human MT4 cells ass... | 21438533 |
| Human immunodeficiency virus 1 | EC50 | = | 739.0 | nM | 6.13 | Antiviral activity against HIV 1 harboring reverse transcriptase K103N mutant in... | 21438533 |
| Human immunodeficiency virus 1 | EC50 | = | 2535.0 | nM | 5.6 | Antiviral activity against HIV 1 harboring reverse transcriptase Y181C mutant in... | 21438533 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21438533 | 10.1021/jm101626c | Human immunodeficiency virus 1 | 6 |
| 21438533 | 10.1021/jm101626c | Human immunodeficiency virus type 1 reverse transcriptase | 5 |
| 21438533 | 10.1021/jm101626c | Unchecked | 3 |
| 21438533 | 10.1021/jm101626c | MT4 | 1 |
Data from ChEMBL 36 via Core Engine