Compound Detail
CHEMBL128762
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c1cc2nc(c1)CCNCCCN(Cc1ccc(CN3CCCNCCc4cccc(n4)CCNCCC3)cc1)CCCNCC2
Basic Information
| ChEMBL ID | CHEMBL128762 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UWIMKGGLDSISTR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
626.9
MW (Da)
3.60
ALogP
8
HBA
4
HBD
80.4
PSA (Ų)
0.35
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.38 | 6.38 | 420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 420.0 | nM | 6.38 | Antiviral activity against HIV1 3B infected in human MT4 cells assessed as reduc... | 26974376 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26974376 | 10.1016/j.ejmech.2016.02.051 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine