Compound Detail
CHEMBL1788346
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Br.Br.Br.Br.Br.Br.Br.Br.Brc1cc(CN2CCCNCCNCCCNCC2)cc(CN2CCCNCCNCCCNCC2)c1.O.O.O.O.O
Basic Information
| ChEMBL ID | CHEMBL1788346 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZIKWJAAKEMLVLH-UHFFFAOYSA-N |
| Parent Compound | CHEMBL126171 |
| Active Moiety | CHEMBL126171 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
581.7
MW (Da)
1.18
ALogP
8
HBA
6
HBD
78.7
PSA (Ų)
0.32
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 2 CHEMBL380 | EC50 | 7.27 | 7.27 | 53.8 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.07 | 7.07 | 84.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 2 | EC50 | = | 53.8 | nM | 7.27 | Concentration required to protect the virus infected cells against viral cytopat... | 7830280 |
| Human immunodeficiency virus 1 | EC50 | = | 84.5 | nM | 7.07 | Concentration required to protect the virus infected cells against viral cytopat... | 7830280 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7830280 | 10.1021/jm00002a019 | Human immunodeficiency virus 1 | 1 |
| 7830280 | 10.1021/jm00002a019 | Human immunodeficiency virus 2 | 1 |
| 7830280 | 10.1021/jm00002a019 | MT4 | 1 |
Data from ChEMBL 36 via Core Engine