Compound Detail
CHEMBL4639404
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[N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(N(CCO)CCO)nc2=O)[C@@H](F)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL4639404 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWXCRAAITDFAFP-MEWQQHAOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
374.3
MW (Da)
-1.74
ALogP
10
HBA
4
HBD
177.0
PSA (Ų)
0.24
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 800.0 | nM | 6.1 | Antiviral activity against VSVG pseudotyped HIV1 infected in HEK293 cells preinc... | 32678592 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32678592 | 10.1021/acs.jmedchem.0c00940 | Human immunodeficiency virus 1 | 1 |
| 32678592 | 10.1021/acs.jmedchem.0c00940 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine