Compound Detail
CHEMBL557276
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CC(=O)c1ccc(-c2ccc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)cc2)s1
Basic Information
| ChEMBL ID | CHEMBL557276 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFEXPLBLMYAPAG-QGZVFWFLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
460.6
MW (Da)
4.17
ALogP
5
HBA
0
HBD
74.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 1600.0 | nM | 5.8 | Antiviral activity against HIV1 expressed in 293T cells assessed as protection a... | 19534463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19534463 | 10.1021/jm900330x | Human immunodeficiency virus 1 | 1 |
| 19534463 | 10.1021/jm900330x | ADMET | 1 |
Data from ChEMBL 36 via Core Engine