Compound Detail
CHEMBL196807
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Basic Information
| ChEMBL ID | CHEMBL196807 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORELRFFGBJCJFE-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
435.4
MW (Da)
5.32
ALogP
4
HBA
1
HBD
55.0
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 9.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 9.66 | 6.42 | 0.2 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 0.22 | nM | 9.66 | Antiviral activity against HIV1 IRLL98 mutant strain infected MT4 cells by MTT m... | 16335924 |
| Human immunodeficiency virus 1 | EC50 | = | 870.0 | nM | 6.06 | Antiviral activity against HIV1 K103N mutant strain infected MT4 cells by MTT me... | 16335924 |
| Human immunodeficiency virus 1 | EC50 | = | 870.0 | nM | 6.06 | Antiviral activity against HIV1 isolates with reverse transcriptase K103N mutati... | 18630898 |
| Human immunodeficiency virus 1 | EC50 | = | 6900.0 | nM | 5.16 | Antiviral activity against HIV1 Y188L mutant strain infected MT4 cells by MTT me... | 16335924 |
| Human immunodeficiency virus 1 | EC50 | = | 6900.0 | nM | 5.16 | 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 | 6 |
| 16335924 | 10.1021/jm050744t | Human immunodeficiency virus 1 | 4 |
| 18630898 | 10.1021/jm800340w | Human immunodeficiency virus type 1 reverse transcriptase | 4 |
| 16335924 | 10.1021/jm050744t | Human immunodeficiency virus type 1 reverse transcriptase | 3 |
| 18630898 | 10.1021/jm800340w | Unchecked | 3 |
| 16335924 | 10.1021/jm050744t | MT4 | 1 |
| 18630898 | 10.1021/jm800340w | MT4 | 1 |
Data from ChEMBL 36 via Core Engine