Compound Detail
CHEMBL4205776
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CN(CCCN)CCCNC(=O)CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc(NC(=O)CCNC(=O)c5cc(NC(=O)c6cc(NC(=O)CCCNC(=O)c7cc(NC(=O)c8cc(NC(=O)c9cc(NC(=O)CCNC(=O)c%10cc(NC(=O)c%11cc(NC(=O)c%12nc(N=C(N(C)C)N(C)C)cn%12C)cn%11C)cn%10C)cn9C)cn8C)cn7C)cn6C)cn5C)cn4C)cn3C)cn2C)cn1C
Basic Information
| ChEMBL ID | CHEMBL4205776 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYRJDEYUSLUNTP-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
2008.2
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.89
Kd 3 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 8.96 | 8.79 | 1.1 | 3 |
| Human papillomavirus CHEMBL612319 | IC50 | 6.89 | 6.7033 | 130.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 1.1 | nM | 8.96 | Binding affinity to HPV 18 ACATA TTTTGAACAA TTGGC LCR DNA (7559 to 7568 nucleoti... | 27840672 |
| Unchecked | Kd | = | 1.2 | nM | 8.92 | Binding affinity to HPV 18 CCTGG TATTAGTCAT TTTCC LCR DNA (7606 to 7615 nucleoti... | 27840672 |
| Unchecked | Kd | = | 3.2 | nM | 8.49 | Binding affinity to HPV 18 CTTTGGCGCATATAA GGCGC LCR DNA (7585 to 7594 nucleotid... | 27840672 |
| Human papillomavirus | IC50 | = | 130.0 | nM | 6.89 | Antiviral activity against HPV 31 infected in mouse 3T3 cells assessed as decrea... | 27840672 |
| Human papillomavirus | IC50 | = | 200.0 | nM | 6.7 | Antiviral activity against HPV 18 infected in mouse 3T3 cells assessed as decrea... | 27840672 |
| Human papillomavirus | IC50 | = | 300.0 | nM | 6.52 | Antiviral activity against HPV 16 infected in mouse 3T3 cells assessed as decrea... | 27840672 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27840672 | 10.1039/C6MD00371K | Unchecked | 7 |
| 27840672 | 10.1039/C6MD00371K | Human papillomavirus | 6 |
Data from ChEMBL 36 via Core Engine