Compound Detail
CHEMBL4294506
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COc1ccc(N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)c2cn(Cc3cccc(C#N)c3)nn2)cc1
Basic Information
| ChEMBL ID | CHEMBL4294506 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDDYVWYYCOPEKI-VWLOTQADSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
494.6
MW (Da)
3.21
ALogP
7
HBA
1
HBD
113.1
PSA (Ų)
0.38
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.04 | 5.04 | 9110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 9110.0 | nM | 5.04 | Antiviral activity against Human immunodeficiency virus 1 NL4-3 infected in huma... | 30243152 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30243152 | 10.1016/j.ejmech.2018.09.029 | Human immunodeficiency virus 1 | 1 |
| 30243152 | 10.1016/j.ejmech.2018.09.029 | MT4 | 1 |
| 30243152 | 10.1016/j.ejmech.2018.09.029 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine