Compound Detail
CHEMBL2380562
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CCCCc1cn([C@]2(CO)O[C@@H](n3ccc(N)nc3=O)[C@@H](F)[C@@H]2O)nn1
Basic Information
| ChEMBL ID | CHEMBL2380562 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JIWGEKATVVLWQS-RMRHIDDWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
368.4
MW (Da)
-0.67
ALogP
10
HBA
3
HBD
141.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 300.0 | nM | 6.52 | Antiviral activity against HIV1 expressing VSV glycoprotein plasmid infected in ... | 23570720 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23570720 | 10.1016/j.ejmech.2013.02.042 | MT2 | 1 |
| 23570720 | 10.1016/j.ejmech.2013.02.042 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine