Compound Detail
CHEMBL3805329
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COc1ccc(C(=O)NCCCCN2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc1
Basic Information
| ChEMBL ID | CHEMBL3805329 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGAJJNATXUYAKB-BKJQLSFMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
437.6
MW (Da)
4.10
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.09 | 5.09 | 8130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 8130.0 | nM | 5.09 | Antiviral activity against HIV1 NL4-3 infected in human MT4 cells assessed as re... | 26985308 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26985308 | 10.1021/acsmedchemlett.5b00339 | Human immunodeficiency virus 1 | 1 |
| 26985308 | 10.1021/acsmedchemlett.5b00339 | MT4 | 1 |
Data from ChEMBL 36 via Core Engine