None
AlkaPlorer ID: AK323351
Synonym: None
IUPAC Name: N,N'-bis[3-(benzylamino)propyl]heptane-1,7-diamine
Structure
SMILES: C1=CC=C(CNCCCNCCCCCCCNCCCNCC2=CC=CC=C2)C=C1
InChI: InChI=1S/C27H44N4/c1(2-10-18-28-20-12-22-30-24-26-14-6-4-7-15-26)3-11-19-29-21-13-23-31-25-27-16-8-5-9-17-27/h4-9,14-17,28-31H,1-3,10-13,18-25H2
InChIKey: HZKTVSPJAMOCGF-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Encephalitozoon cuniculi | Encephalitozoon | Unikaryonidae | None | None | Microsporidia | Fungi | Eukaryota |
Properties Information
Molecule Weight: 424.6770000000001
TPSA？: 48.12
MolLogP？: 4.475900000000003
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bos taurus | Calf thymus DNA | IC50 | 6000.0 | nM | 10.1021/jm00112a016 |
| Cricetinae gen. sp. | Cricetinae gen. sp. | ED50 | 1.0 | mg.kg-1 | 10.1021/jm000084m |
| Homo sapiens | HeLa | IC50 | 5000.0 | nM | 10.1021/jm000084m |
| Homo sapiens | HeLa | IC50 | 5000.0 | nM | 10.1021/jm00112a016 |
| Homo sapiens | HeLa | IC50 | 150000.0 | nM | 10.1021/jm00112a016 |
| Homo sapiens | NCH82 | IC50 | 1700.0 | nM | 10.1021/jm000084m |
| Homo sapiens | NCI-H157 | IC50 | 500.0 | nM | 10.1021/jm000084m |
| Homo sapiens | NCI-H157 | IC50 | 10000.0 | nM | 10.1021/jm000084m |
| Leishmania donovani | Leishmania donovani | IC50 | 18000.0 | nM | 10.1016/j.ejmech.2017.08.014 |
| Leishmania donovani | Leishmania donovani | Inhibition | 65.0 | % | 10.1016/j.ejmech.2017.08.014 |
| Leishmania donovani | Leishmania donovani | Inhibition | 77.0 | % | 10.1016/j.ejmech.2017.08.014 |
| Leishmania donovani | Leishmania donovani | Inhibition | 99.9 | % | 10.1016/j.ejmech.2017.08.014 |
| Mus musculus | Mus musculus | ED50 | 2.5 | mg.kg-1 | 10.1021/jm000084m |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 3000.0 | nM | 10.1021/jm900187v |
| Trypanosoma brucei | Trypanosoma brucei | IC50 | 10000.0 | nM | 10.1016/j.ejmech.2017.08.014 |
| Trypanosoma brucei | Trypanosoma brucei | IC50 | 12300.0 | nM | 10.1016/s0960-894x(01)00315-8 |
| Trypanosoma brucei | Trypanosoma brucei | IC50 | 12300.0 | nM | 10.1021/jm000084m |
| Trypanosoma brucei | Trypanosoma brucei | IC50 | 13000.0 | nM | 10.1016/s0960-894x(01)00315-8 |
| Trypanosoma brucei | Trypanosoma brucei | IC50 | 13000.0 | nM | 10.1021/jm000084m |
| Trypanosoma brucei | Trypanosoma brucei | IC50 | 14500.0 | nM | 10.1016/s0960-894x(01)00315-8 |
| Trypanosoma brucei | Trypanosoma brucei | IC50 | 14500.0 | nM | 10.1021/jm000084m |
| Trypanosoma brucei | Trypanosoma brucei | IC50 | 15100.0 | nM | 10.1016/s0960-894x(01)00315-8 |
| Trypanosoma brucei | Trypanosoma brucei | IC50 | 15100.0 | nM | 10.1021/jm000084m |
| None | Nucleic Acid | IC50 | 4600.0 | nM | 10.1021/jm00112a016 |
| None | Nucleic Acid | IC50 | 31000.0 | nM | 10.1021/jm00112a016 |
| None | Unchecked | Activity | 690.5 | nmol/min | 10.1128/aac.00267-08 |
| None | Unchecked | Activity | 1370.0 | nmol/min | 10.1128/aac.00267-08 |
| None | Unchecked | FC | 0.89 | None | 10.1128/aac.00267-08 |
| None | Unchecked | FC | 0.98 | None | 10.1128/aac.00267-08 |