Nagelamide G
AlkaPlorer ID: AK063589
Synonym: '(+)-Nagelamide G'
IUPAC Name: N-[[(5S,6R,7R)-2-amino-7-(2-amino-1H-imidazol-5-yl)-6-[[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]-4,5-dibromo-1H-pyrrole-2-carboxamide
Structure
SMILES: N=C1NC=C([C@@H]2C3=C(C[C@H](CNC(=O)C4=CC(Br)=C(Br)N4)[C@H]2CNC(=O)C2=CC(Br)=C(Br)N2)NC(=N)N3)N1
InChI: InChI=1S/C22H22Br4N10O2/c23-9-2-12(32-17(9)25)19(37)29-4-7-1-11-16(36-22(28)34-11)15(14-6-31-21(27)35-14)8(7)5-30-20(38)13-3-10(24)18(26)33-13/h2-3,6-8,15,32-33H,1,4-5H2,(H,29,37)(H,30,38)(H3,27,31,35)(H3,28,34,36)/t7-,8-,15-/m1/s1
InChIKey: VOGBZMFIZJPYAJ-KDZIRCDLSA-N
Reference
N-Methylated ageliferins from the sponge Astrosclera willeyana from Pohnpei
PubChem CID: 15816052
LOTUS: LTS0238707
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Astrosclera willeyana | Astrosclera | Astroscleridae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 778.102
TPSA？: 200.64
MolLogP？: 3.444539999999999
Number of H-Donors: 10
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Acinetobacter baumannii | Acinetobacter baumannii | MIC | 100000.0 | nM | 10.1021/acs.jnatprod.2c00094 |
| Enterococcus faecalis | Enterococcus faecalis | MIC | 6200.0 | nM | 10.1021/acs.jnatprod.2c00094 |
| Escherichia coli | Escherichia coli | MIC | 12500.0 | nM | 10.1021/acs.jnatprod.2c00094 |
| Homo sapiens | OVCAR-3 | Activity | nan | None | 10.1021/acs.jnatprod.2c00094 |
| Klebsiella pneumoniae | Klebsiella pneumoniae | MIC | 12500.0 | nM | 10.1021/acs.jnatprod.2c00094 |
| Klebsiella pneumoniae | Klebsiella pneumoniae | MIC | 25000.0 | nM | 10.1021/acs.jnatprod.2c00094 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 25000.0 | nM | 10.1021/acs.jnatprod.2c00094 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 6200.0 | nM | 10.1021/acs.jnatprod.2c00094 |
| None | Erythrocyte | Activity | 0.7 | % | 10.1021/acs.jnatprod.2c00094 |