Compound Detail
CHEMBL4460806
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C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc2cc(-c3nccs3)ccc2c1
Basic Information
| ChEMBL ID | CHEMBL4460806 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOBLFLZXARTJCT-GOSISDBHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
469.6
MW (Da)
4.52
ALogP
5
HBA
0
HBD
70.6
PSA (Ų)
0.33
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 10.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 10.52 | 10.52 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 0.03 | nM | 10.52 | Antiviral activity against ENV pseudotyped HIV1 JFRL infected in human HeLa67 ce... | 30940396 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30940396 | 10.1016/j.bmcl.2019.03.018 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine