Molecule

None

AlkaPlorer ID: AK324079

Synonym: None

IUPAC Name: 4-bromo-N-[4-[3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]propylamino]butyl]-1H-pyrrole-2-carboxamide

Structure

SMILES: O=C(NCCCCNCCCNC(=O)C1=CC(Br)=CN1)C1=CC(Br)=CN1

InChI: InChI=1S/C17H23Br2N5O2/c18-12-8-14(23-10-12)16(25)21-6-2-1-4-20-5-3-7-22-17(26)15-9-13(19)11-24-15/h8-11,20,23-24H,1-7H2,(H,21,25)(H,22,26)

InChIKey: YLDAAMRRCXMEJK-UHFFFAOYSA-N

Reference

A xanthone and a polyketide derivative from the leaves of Cassia obtusifolia (Leguminosae)

PubChem CID: 44339649

NPASS: NPC486072

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 489.212

TPSA？: 101.81

MolLogP？: 2.7875

Number of H-Donors: 5

Number of H-Acceptors: 3

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Escherichia coli	Escherichia coli	MIC	250.0	ug.mL-1	10.1016/S0960-894X(96)00622-1
Homo sapiens	HepG2	MDL50	400.0	uM	10.1021/acs.jnatprod.7b00876
Leishmania amazonensis	Leishmania amazonensis	EC50	100000.0	nM	10.1021/acs.jnatprod.7b00876
Leishmania infantum	Leishmania infantum	EC50	100000.0	nM	10.1021/acs.jnatprod.7b00876
Listeria monocytogenes	Listeria monocytogenes	MIC	250.0	ug.mL-1	10.1016/S0960-894X(96)00622-1
Plasmodium falciparum	Plasmodium falciparum	IC50	7000.0	nM	10.1021/acs.jnatprod.7b00876
Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	500.0	ug.mL-1	10.1016/S0960-894X(96)00622-1
Serratia liquefaciens	Serratia liquefaciens	MIC	500.0	ug.mL-1	10.1016/S0960-894X(96)00622-1
Staphylococcus aureus	Staphylococcus aureus	MIC	100.0	ug.mL-1	10.1016/S0960-894X(96)00622-1
Trypanosoma cruzi	Trypanosoma cruzi	EC50	100000.0	nM	10.1021/acs.jnatprod.7b00876
None	BMDM	CC50	nan	None	10.1021/acs.jnatprod.7b00876
None	Unchecked	Selectivity Index	54.0	None	10.1021/acs.jnatprod.7b00876