Compound Detail
CHEMBL469247
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Basic Information
| ChEMBL ID | CHEMBL469247 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKXRHFFWXMPWOR-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
447.4
MW (Da)
5.77
ALogP
4
HBA
1
HBD
62.8
PSA (Ų)
0.28
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.4 | 6.4775 | 4.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 4.0 | nM | 8.4 | Antiviral activity against HIV1 NL4-3 in human MT4 cells assessed as inhibition ... | 18630898 |
| Human immunodeficiency virus 1 | EC50 | = | 110.0 | nM | 6.96 | Antiviral activity against HIV1 isolates with reverse transcriptase Y181C mutati... | 18630898 |
| Human immunodeficiency virus 1 | EC50 | = | 5100.0 | nM | 5.29 | Antiviral activity against HIV1 isolates with reverse transcriptase K103N mutati... | 18630898 |
| Human immunodeficiency virus 1 | EC50 | = | 5500.0 | nM | 5.26 | Antiviral activity against HIV1 isolates with reverse transcriptase Y188L mutati... | 18630898 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18630898 | 10.1021/jm800340w | Human immunodeficiency virus 1 | 7 |
| 18630898 | 10.1021/jm800340w | Unchecked | 4 |
| 18630898 | 10.1021/jm800340w | Human immunodeficiency virus type 1 reverse transcriptase | 4 |
| 18630898 | 10.1021/jm800340w | MT4 | 1 |
Data from ChEMBL 36 via Core Engine