Compound Detail
CHEMBL2315350
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O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-c3ccsc3)ccc(F)c12
Basic Information
| ChEMBL ID | CHEMBL2315350 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFOWEKUCAOAHPD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
461.5
MW (Da)
4.20
ALogP
4
HBA
1
HBD
73.5
PSA (Ų)
0.37
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 11.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 11.0 | 11.0 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 0.01 | nM | 11.0 | Antiviral activity against HIV1 JRFL pseudotyped virus infected in HeLa CD4+ CCR... | 23200249 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23200249 | 10.1016/j.bmcl.2012.10.117 | HeLa | 1 |
| 23200249 | 10.1016/j.bmcl.2012.10.117 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine