Navigation

name Structure Reference Source Properties Activities Metabolism

Bromoageliferin

AlkaPlorer ID: AK047023

Synonym: None

IUPAC Name: N-[[(4R,5R,6S)-2-amino-4-(2-amino-1H-imidazol-5-yl)-6-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-1H-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)=CN4)[C@H]2CNC(=O)C2=CC(Br)=C(Br)N2)NC(=N)N3)N1

copy

InChI: InChI=1S/C22H23Br3N10O2/c23-9-2-13(28-5-9)19(36)29-4-8-1-12-17(35-22(27)33-12)16(15-7-31-21(26)34-15)10(8)6-30-20(37)14-3-11(24)18(25)32-14/h2-3,5,7-8,10,16,28,32H,1,4,6H2,(H,29,36)(H,30,37)(H3,26,31,34)(H3,27,33,35)/t8-,10-,16-/m1/s1

copy

InChIKey: ZPPBXYMLLGMARQ-DOZZXWOPSA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 699.206

TPSA？: 200.64

MolLogP？: 2.68204

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 IC50 28300.0 nM 10.1016/j.bmcl.2016.11.018
Acinetobacter baumannii Acinetobacter baumannii MIC 8.0 ug.mL-1 10.1016/j.bmcl.2016.11.018
Acinetobacter baumannii Acinetobacter baumannii MIC 100000.0 nM 10.1021/acs.jnatprod.2c00094
Bacillus subtilis Bacillus subtilis MIC 2.08 ug.mL-1 10.1021/np034077n
Enterococcus faecalis Enterococcus faecalis MIC 100000.0 nM 10.1021/acs.jnatprod.2c00094
Escherichia coli Escherichia coli MIC 16.7 ug.mL-1 10.1021/np034077n
Escherichia coli Escherichia coli MIC 12500.0 nM 10.1021/acs.jnatprod.2c00094
Escherichia coli Escherichia coli MIC 25000.0 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
Micrococcus luteus Micrococcus luteus MIC 2.08 ug.mL-1 10.1021/np034077n
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 12500.0 nM 10.1021/acs.jnatprod.2c00094
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 50000.0 nM 10.1021/acs.jnatprod.2c00094
Staphylococcus aureus Staphylococcus aureus IC50 10600.0 nM 10.1016/j.bmcl.2016.11.018
Staphylococcus aureus Staphylococcus aureus MIC 2.0 ug.mL-1 10.1016/j.bmcl.2016.11.018
Staphylococcus aureus Staphylococcus aureus MIC 16.0 ug.mL-1 10.1016/j.bmcl.2016.11.018
Staphylococcus aureus Staphylococcus aureus MIC 12500.0 nM 10.1021/acs.jnatprod.2c00094
None Erythrocyte Activity 1.5 % 10.1021/acs.jnatprod.2c00094
None Unchecked IC50 50000.0 nM 10.1021/np034077n

Metabolism Information