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Nagelamide E

AlkaPlorer ID: AK063576

Synonym: '', '(-)-Nagelamide E', 'Ageliferin'

IUPAC Name: N-[[(5S,6R,7R)-2-amino-7-(2-amino-1H-imidazol-5-yl)-6-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]-4-bromo-1H-pyrrole-2-carboxamide

Structure

SMILES: N=C1NC=C([C@@H]2C3=C(C[C@H](CNC(=O)C4=CC(Br)=CN4)[C@H]2CNC(=O)C2=CC(Br)=CN2)NC(=N)N3)N1

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InChI: InChI=1S/C22H24Br2N10O2/c23-10-2-14(27-5-10)19(35)29-4-9-1-13-18(34-22(26)32-13)17(16-8-31-21(25)33-16)12(9)7-30-20(36)15-3-11(24)6-28-15/h2-3,5-6,8-9,12,17,27-28H,1,4,7H2,(H,29,35)(H,30,36)(H3,25,31,33)(H3,26,32,34)/t9-,12-,17-/m1/s1

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InChIKey: DMMLTRAQSJWUHT-OGTWGDGJSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Agelas nakamurai Agelas Agelasidae Agelasida Demospongiae Porifera Metazoa Eukaryota

Properties Information

Molecule Weight: 620.3100000000001

TPSA？: 200.64

MolLogP？: 1.91954

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 100000.0 nM 10.1021/acs.jnatprod.2c00094
Escherichia coli Escherichia coli MIC 100000.0 nM 10.1021/acs.jnatprod.2c00094
Homo sapiens OVCAR-3 Activity nan None 10.1021/acs.jnatprod.2c00094
Klebsiella pneumoniae Klebsiella pneumoniae MIC 100000.0 nM 10.1021/acs.jnatprod.2c00094
Mus musculus L5178Y Activity 50.0 % 10.1021/acs.jnatprod.2c00094
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 50000.0 nM 10.1021/acs.jnatprod.2c00094
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 100000.0 nM 10.1021/acs.jnatprod.2c00094
Staphylococcus aureus Staphylococcus aureus MIC 100000.0 nM 10.1021/acs.jnatprod.2c00094
None Erythrocyte Activity 2.3 % 10.1021/acs.jnatprod.2c00094

Metabolism Information