Aldisine; 2,3-Dibromo
AlkaPlorer ID: AK082987
Synonym: 2,3-Dibromoaldisine
IUPAC Name: 2,3-dibromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione
Structure
SMILES: O=C1NCCC(=O)C2=C1NC(Br)=C2Br
InChI: InChI=1S/C8H6Br2N2O2/c9-5-4-3(13)1-2-11-8(14)6(4)12-7(5)10/h12H,1-2H2,(H,11,14)
InChIKey: WTCVOITUVXJFLR-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stylissa flabelliformis | Stylissa | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 321.956
TPSA？: 61.96
MolLogP？: 1.8559
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | GI50 | 100000.0 | nM | 10.1016/j.ejmech.2012.08.022 |
| Homo sapiens | Cyclin-dependent kinase 2/cyclin A | Inhibition | nan | % | 10.1016/j.ejmech.2012.08.022 |
| Homo sapiens | LoVo | GI50 | 100000.0 | nM | 10.1016/j.ejmech.2012.08.022 |
| Homo sapiens | MCF7 | GI50 | 100000.0 | nM | 10.1016/j.ejmech.2012.08.022 |
| Homo sapiens | PC-3 | GI50 | 100000.0 | nM | 10.1016/j.ejmech.2012.08.022 |