Compound Detail
CHEMBL176784
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C[C@@H](NC(=O)c1cccc(-c2ccc(S(=O)(=O)CC(=O)O)cc2)c1)c1cccc2ccccc12
Basic Information
| ChEMBL ID | CHEMBL176784 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXZOENCFCHYRBZ-GOSISDBHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
473.6
MW (Da)
4.86
ALogP
4
HBA
2
HBD
100.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replication protein E1 CHEMBL4953 | IC50 | 8.35 | 8.35 | 4.5 | 1 |
| Human papillomavirus CHEMBL612319 | IC50 | 8.35 | 8.35 | 4.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replication protein E1 | IC50 | = | 4.5 | nM | 8.35 | Ability to inhibit in vitro ATPase activity of human papillomavirus (HPV6) E1 he... | 14695816 |
| Human papillomavirus | IC50 | = | 4.5 | nM | 8.35 | Antiviral activity against Human papillomavirus | 19112024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14695816 | 10.1021/jm034206x | Replication protein E1 | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human papillomavirus | 1 |
Data from ChEMBL 36 via Core Engine