Compound Detail
CHEMBL108396
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Basic Information
| ChEMBL ID | CHEMBL108396 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXZXXMLKRZNKEG-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
458.6
MW (Da)
5.62
ALogP
5
HBA
1
HBD
72.0
PSA (Ų)
0.21
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.52
EC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.52 | 6.38 | 30.0 | 2 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.52 | 7.52 | 30.0 | 1 |
| MT4 CHEMBL388 | IC50 | 4.87 | 4.87 | 13400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 30.0 | nM | 7.52 | Antiviral activity against HIV1 NL4-3 in human MT4 cells assessed as inhibition ... | 18630898 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 30.0 | nM | 7.52 | Concentration required to protect the cell against HIV-1 strain IIIB viral cytop... | 15149669 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 5820.0 | nM | 5.24 | Inhibitory concentration against SO561945 (HIV 1 mutant RT) viral infection of M... | 15149669 |
| MT4 | IC50 | = | 13400.0 | nM | 4.87 | Concentration required to protect the cell against HIV-2 strain ROD viral cytopa... | 15149669 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15149669 | 10.1016/j.bmcl.2004.04.008 | Human immunodeficiency virus type 1 reverse transcriptase | 3 |
| 15149669 | 10.1016/j.bmcl.2004.04.008 | MT4 | 2 |
| 18630898 | 10.1021/jm800340w | Human immunodeficiency virus 1 | 1 |
| 18630898 | 10.1021/jm800340w | MT4 | 1 |
| 18630898 | 10.1021/jm800340w | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine