Compound Detail
CHEMBL199234
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Basic Information
| ChEMBL ID | CHEMBL199234 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWTKVLBTCWIYCU-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
421.4
MW (Da)
5.28
ALogP
4
HBA
1
HBD
55.0
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.15 | 6.858 | 7.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 7.0 | nM | 8.15 | Antiviral activity against wild type HIV1 NL4-3 infected MT4 cells by MTT method | 16335924 |
| Human immunodeficiency virus 1 | EC50 | = | 7.0 | nM | 8.15 | Antiviral activity against HIV1 NL4-3 in human MT4 cells assessed as inhibition ... | 18630898 |
| Human immunodeficiency virus 1 | EC50 | = | 47.0 | nM | 7.33 | Antiviral activity against HIV1 IRLL98 mutant strain infected MT4 cells by MTT m... | 16335924 |
| Human immunodeficiency virus 1 | EC50 | = | 4700.0 | nM | 5.33 | Antiviral activity against HIV1 K103N mutant strain infected MT4 cells by MTT me... | 16335924 |
| Human immunodeficiency virus 1 | EC50 | = | 4700.0 | nM | 5.33 | Antiviral activity against HIV1 isolates with reverse transcriptase K103N mutati... | 18630898 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18630898 | 10.1021/jm800340w | Human immunodeficiency virus 1 | 5 |
| 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 |
| 18842407 | 10.1016/j.bmcl.2008.09.070 | Human immunodeficiency virus 1 | 3 |
| 18630898 | 10.1021/jm800340w | Unchecked | 3 |
| 16335924 | 10.1021/jm050744t | MT4 | 1 |
| 18842407 | 10.1016/j.bmcl.2008.09.070 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 18842407 | 10.1016/j.bmcl.2008.09.070 | Unchecked | 1 |
| 18630898 | 10.1021/jm800340w | MT4 | 1 |
Data from ChEMBL 36 via Core Engine