Suberedamine B
AlkaPlorer ID: AK041888
Synonym: None
IUPAC Name: (2S)-3-(3-bromo-4-methoxyphenyl)-N-[2-[3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl]ethyl]-2-(methylamino)propanamide
Structure
SMILES: CN[C@@H](CC1=CC=C(OC)C(Br)=C1)C(O)=NCCC1=CC(Br)=C(OCCCN(C)C)C(Br)=C1
InChI: InChI=1S/C24H32Br3N3O3/c1-28-21(15-16-6-7-22(32-4)18(25)12-16)24(31)29-9-8-17-13-19(26)23(20(27)14-17)33-11-5-10-30(2)3/h6-7,12-14,21,28H,5,8-11,15H2,1-4H3,(H,29,31)/t21-/m0/s1
InChIKey: MNNHZXNEKPRDII-NRFANRHFSA-N
Reference
Suberedamines A and B, New Bromotyrosine Alkaloids from a Sponge <i>Suberea</i> Species
PubChem CID: 10258717
LOTUS: LTS0045571
SuperNatural Ⅲ: SN0230373-01
NPASS: NPC233926
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Suberea | Aplysinellidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 650.2500000000001
TPSA？: 66.32
MolLogP？: 5.642900000000006
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Acinetobacter baumannii | Acinetobacter baumannii | MIC | 128000.0 | ug.mL-1 | 10.1021/np300102z |
| Bacillus subtilis | Bacillus subtilis | MIC | 128000.0 | ug.mL-1 | 10.1021/np300102z |
| Burkholderia cepacia | Burkholderia cepacia | MIC | 128000.0 | ug.mL-1 | 10.1021/np300102z |
| Candida albicans | Candida albicans | MIC | 128000.0 | ug.mL-1 | 10.1021/np300102z |
| Enterobacter cloacae | Enterobacter cloacae | MIC | 128000.0 | ug.mL-1 | 10.1021/np300102z |
| Enterococcus faecalis | Enterococcus faecalis | MIC | 128000.0 | ug.mL-1 | 10.1021/np300102z |
| Enterococcus faecium | Enterococcus faecium | MIC | 128000.0 | ug.mL-1 | 10.1021/np300102z |
| Escherichia coli | Escherichia coli | MIC | 128000.0 | ug.mL-1 | 10.1021/np300102z |
| Homo sapiens | KB | IC50 | 10.0 | ug.mL-1 | 10.1021/np010077g |
| Klebsiella pneumoniae | Klebsiella pneumoniae | MIC | 128000.0 | ug.mL-1 | 10.1021/np300102z |
| Listeria monocytogenes | Listeria monocytogenes | MIC | 128000.0 | ug.mL-1 | 10.1021/np300102z |
| Micrococcus luteus | Micrococcus luteus | MIC | 12.6 | ug.mL-1 | 10.1021/np010077g |
| Mus musculus | L1210 | IC50 | 8.6 | ug.mL-1 | 10.1021/np010077g |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 40.0 | ug.mL-1 | 10.1021/np300102z |
| Nakaseomyces glabratus | Nakaseomyces glabratus | MIC | 128000.0 | ug.mL-1 | 10.1021/np300102z |
| Providencia rettgeri | Providencia rettgeri | MIC | 128000.0 | ug.mL-1 | 10.1021/np300102z |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 128000.0 | ug.mL-1 | 10.1021/np300102z |
| Salmonella enterica subsp. enterica serovar Typhimurium | Salmonella typhimurium | MIC | 128000.0 | ug.mL-1 | 10.1021/np300102z |
| Serratia marcescens | Serratia marcescens | MIC | 128000.0 | ug.mL-1 | 10.1021/np300102z |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 128000.0 | ug.mL-1 | 10.1021/np300102z |
| Staphylococcus epidermidis | Staphylococcus epidermidis | MIC | 128000.0 | ug.mL-1 | 10.1021/np300102z |
| Streptococcus pyogenes | Streptococcus pyogenes | MIC | 128000.0 | ug.mL-1 | 10.1021/np300102z |
| Yersinia enterocolitica | Yersinia enterocolitica | MIC | 128000.0 | ug.mL-1 | 10.1021/np300102z |
| None | NON-PROTEIN TARGET | GI50 | 4786.3 | nM | 10.1021/np300102z |
| None | NON-PROTEIN TARGET | GI50 | 5470.0 | nM | 10.1021/np300102z |