Compound Detail
CHEMBL348795
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Basic Information
| ChEMBL ID | CHEMBL348795 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYQVBYVHKBMZGU-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
243.3
MW (Da)
1.72
ALogP
3
HBA
1
HBD
41.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.21
IC50 2 meas. best 4.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.21 | 4.21 | 62000.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.21 | 4.185 | 62000.0 | 2 |
| MT4 CHEMBL388 | EC50 | 4.21 | 4.21 | 62000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MT4 | EC50 | = | 62000.0 | nM | 4.21 | Effective concentration of the compound to inhibit HIV-1 replication in HIV-infe... | 15771411 |
| Human immunodeficiency virus 1 | EC50 | = | 62000.0 | nM | 4.21 | Antiviral activity against Human immunodeficiency virus 1 infected in human MT4 ... | 19632850 |
| Human immunodeficiency virus 1 | IC50 | = | 62000.0 | nM | 4.21 | Concentration required to inhibit 50% viral production of human immunodeficiency... | 15801834 |
| Human immunodeficiency virus 1 | IC50 | = | 70000.0 | nM | 4.16 | Effective concentration required to achieve 50% protection of MT-4 cells against... | 1995896 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1995896 | 10.1021/jm00106a040 | MT4 | 2 |
| 1995896 | 10.1021/jm00106a040 | Human immunodeficiency virus 1 | 1 |
| 15801834 | 10.1021/jm049606e | Human immunodeficiency virus 1 | 1 |
| 15771411 | 10.1021/jm040127p | MT4 | 1 |
| 19632850 | 10.1016/j.bmc.2009.06.060 | Human immunodeficiency virus 1 | 1 |
| - | 10.1007/s00044-011-9742-x | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine