Budmunchiamine L4
AlkaPlorer ID: AK291124
Synonym: 8-Tridecyl-1,5,9,13-tetraazacycloheptadecan-6-one
IUPAC Name: 8-tridecyl-1,5,9,13-tetrazacycloheptadecan-6-one
Structure
SMILES: CCCCCCCCCCCCCC1CC(O)=NCCCNCCCCNCCCN1
InChI: InChI=1S/C26H54N4O/c1-2-3-4-5-6-7-8-9-10-11-12-17-25-24-26(31)30-23-16-21-28-19-14-13-18-27-20-15-22-29-25/h25,27-29H,2-24H2,1H3,(H,30,31)
InChIKey: BIJLNPCGAYTFAD-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 438.7450000000004
TPSA？: 68.68
MolLogP？: 5.745500000000004
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | DuPro | IC50 | 600.0 | nM | 10.1021/jm900187v |
| Homo sapiens | PC-3 | IC50 | 600.0 | nM | 10.1021/jm900187v |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 14000.0 | nM | 10.1016/j.bmc.2009.02.050 |