Compound Detail
CHEMBL559937
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Basic Information
| ChEMBL ID | CHEMBL559937 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSMDOSKNXLVXIP-KNRKYQCFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
4.52
ALogP
5
HBA
0
HBD
46.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.81 | 4.81 | 15500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 15500.0 | nM | 4.81 | Antiviral activity against HIV1 3B in human C8166 cells assessed as inhibition o... | 19413342 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24927000 | 10.1021/np4010536 | Amyloid-beta precursor protein | 4 |
| 19413342 | 10.1021/np900123z | Unchecked | 1 |
| 19413342 | 10.1021/np900123z | Human immunodeficiency virus 1 | 1 |
| 19413342 | 10.1021/np900123z | C8166 | 1 |
| 24927000 | 10.1021/np4010536 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine