Compound Detail
CHEMBL174279
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O=C(O)CS(=O)(=O)c1ccc(-c2cccc(CC(=O)N[C@H]3CCc4ccccc43)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL174279 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMSPUAFKNKGVHS-QHCPKHFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
449.5
MW (Da)
3.56
ALogP
4
HBA
2
HBD
100.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replication protein E1 CHEMBL4953 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replication protein E1 | IC50 | = | 20.0 | nM | 7.7 | Ability to inhibit in vitro ATPase activity of human papillomavirus (HPV6) E1 he... | 14695816 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14695816 | 10.1021/jm034206x | Replication protein E1 | 1 |
Data from ChEMBL 36 via Core Engine