Compound Detail
CHEMBL372381
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Basic Information
| ChEMBL ID | CHEMBL372381 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PRQYPDOGBMPYEJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
416.3
MW (Da)
5.55
ALogP
5
HBA
1
HBD
69.8
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.05 | 5.675 | 890.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 890.0 | nM | 6.05 | Antiviral activity against wild type HIV1 NL4-3 infected MT4 cells by MTT method | 16335924 |
| Human immunodeficiency virus 1 | EC50 | = | 5000.0 | nM | 5.3 | Antiviral activity against HIV1 IRLL98 mutant strain infected MT4 cells by MTT m... | 16335924 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16335924 | 10.1021/jm050744t | Human immunodeficiency virus 1 | 4 |
| 16335924 | 10.1021/jm050744t | Human immunodeficiency virus type 1 reverse transcriptase | 3 |
| 16335924 | 10.1021/jm050744t | MT4 | 1 |
Data from ChEMBL 36 via Core Engine