Compound Detail
CHEMBL4208773
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CN(CCCN)CCCNC(=O)CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)CCNC(=O)c4cc(NC(=O)c5cc(NC(=O)c6cc(NC(=O)CCNC(=O)c7cc(NC(=O)c8cc(NC(=O)CCNC(=O)c9cc(NC(=O)c%10cc(NC(=O)CCCNC(=O)c%11cc(NC(=O)c%12cc(NC(=O)c%13cc(NC(=O)CCNC(=O)c%14cc(NC(=O)c%15cc(NC(=O)c%16nccn%16C)cn%15C)cn%14C)cn%13C)cn%12C)cn%11C)cn%10C)cn9C)cn8C)cn7C)n(C)c6)n(C)c5)n(C)c4)n(C)c3)n(C)c2)n(C)c1
Basic Information
| ChEMBL ID | CHEMBL4208773 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLBJFRGFWADVNR-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
2525.8
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human papillomavirus CHEMBL612319 | IC50 | 7.52 | 7.4033 | 30.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human papillomavirus | IC50 | = | 30.0 | nM | 7.52 | Antiviral activity against HPV 31 infected in mouse 3T3 cells assessed as decrea... | 27840672 |
| Human papillomavirus | IC50 | = | 36.0 | nM | 7.44 | Antiviral activity against HPV 16 infected in mouse 3T3 cells assessed as decrea... | 27840672 |
| Human papillomavirus | IC50 | = | 56.0 | nM | 7.25 | Antiviral activity against HPV 18 infected in mouse 3T3 cells assessed as decrea... | 27840672 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27840672 | 10.1039/C6MD00371K | Human papillomavirus | 6 |
Data from ChEMBL 36 via Core Engine