Compound Detail
CHEMBL518738
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Basic Information
| ChEMBL ID | CHEMBL518738 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSSKCDQINHNJRN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
274.3
MW (Da)
2.96
ALogP
2
HBA
1
HBD
37.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.73 | 4.73 | 18560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 18560.0 | nM | 4.73 | Antiviral activity against HIV1 3B in human MT4 cells assessed as virus-induced ... | 18585918 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18585918 | 10.1016/j.bmc.2008.06.012 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 18585918 | 10.1016/j.bmc.2008.06.012 | Human immunodeficiency virus 1 | 1 |
| 18585918 | 10.1016/j.bmc.2008.06.012 | MT4 | 1 |
| 18585918 | 10.1016/j.bmc.2008.06.012 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine