Compound Detail
CHEMBL1078434
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CCCC[C@H]1CN(C2CCOCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2
Basic Information
| ChEMBL ID | CHEMBL1078434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLAZWYCOZZELFJ-DEOSSOPVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
541.7
MW (Da)
4.36
ALogP
7
HBA
0
HBD
88.1
PSA (Ų)
0.53
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 7.08 | 7.08 | 84.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 84.0 | nM | 7.08 | Antiviral activity against recombinant HIV1 virus infected in human JC53BL cells... | 19674898 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19674898 | 10.1016/j.bmcl.2009.07.122 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine