Molecule

Proximicin A; N1-[2-(1H-Indol-3-yl)ethyl]

AlkaPlorer ID: AK061440

Synonym: Proximicin C

IUPAC Name: methyl N-[5-[[5-[2-(1H-indol-3-yl)ethylcarbamoyl]furan-3-yl]carbamoyl]furan-3-yl]carbamate

Structure

SMILES: COC(O)=NC1=COC(C(=O)NC2=COC(C(=O)NCCC3=CNC4=CC=CC=C34)=C2)=C1

InChI: InChI=1S/C22H20N4O6/c1-30-22(29)26-15-9-19(32-12-15)21(28)25-14-8-18(31-11-14)20(27)23-7-6-13-10-24-17-5-3-2-4-16(13)17/h2-5,8-12,24H,6-7H2,1H3,(H,23,27)(H,25,28)(H,26,29)

InChIKey: OHKHJUCMNWFOEB-UHFFFAOYSA-N

Reference

Proximicin A, B and C, Novel Aminofuran Antibiotic and Anticancer Compounds Isolated from Marine Strains of the Actinomycete Verrucosispora†

PubChem CID: 24829332

CAS: 1029061-06-0

LOTUS: LTS0220754

NPASS: NPC487366

COCONUT: CNP0371162

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NPAtlas: NPA004452

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Verrucosispora sp.	Micromonospora	Micromonosporaceae	Micromonosporales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 436.42400000000015

TPSA？: 142.09

MolLogP？: 3.7706000000000026

Number of H-Donors: 4

Number of H-Acceptors: 6

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bacillus subtilis	Bacillus subtilis	MIC	64.0	ug.mL-1	10.1021/acs.jnatprod.9b01185
Electrophorus electricus	Acetylcholinesterase	Inhibition	nan	%	10.1021/acs.jnatprod.9b01185
Enterococcus faecalis	Enterococcus faecalis	MIC	128.0	ug.mL-1	10.1016/j.bmc.2012.01.043
Escherichia coli	Escherichia coli	MIC	128.0	ug.mL-1	10.1016/j.bmc.2012.01.043
Homo sapiens	A549	IC50	10000.0	nM	10.1021/acs.jnatprod.9b01185
Homo sapiens	AGS	GI50	600.0	nM	10.1016/j.bmcl.2009.04.042
Homo sapiens	HepG2	GI50	1800.0	nM	10.1016/j.bmcl.2009.04.042
Homo sapiens	HepG2	IC50	10000.0	nM	10.1021/acs.jnatprod.9b01185
Homo sapiens	Jurkat	Activity	nan	None	10.1016/j.bmc.2012.01.043
Homo sapiens	MCF7	GI50	20600.0	nM	10.1016/j.bmcl.2009.04.042
Homo sapiens	MCF7	IC50	10000.0	nM	10.1021/acs.jnatprod.9b01185
Homo sapiens	MDA-MB-231	IC50	11.4	ug.mL-1	10.1016/j.bmc.2012.01.043
Homo sapiens	SF-268	IC50	10000.0	nM	10.1021/acs.jnatprod.9b01185
Homo sapiens	Tyrosinase	Inhibition	nan	%	10.1021/acs.jnatprod.9b01185
Micrococcus luteus	Micrococcus luteus	MIC	64.0	ug.mL-1	10.1021/acs.jnatprod.9b01185
Staphylococcus aureus	Staphylococcus aureus	MIC	64.0	ug.mL-1	10.1021/acs.jnatprod.9b01185
Staphylococcus aureus	Staphylococcus aureus	MIC	128.0	ug.mL-1	10.1016/j.bmc.2012.01.043
Staphylococcus aureus	Staphylococcus aureus	MIC	256.0	ug.mL-1	10.1016/j.bmc.2012.01.043
None	NON-PROTEIN TARGET	IC50	12.7	ug.mL-1	10.1016/j.bmc.2012.01.043
None	Unchecked	Activity	nan	None	10.1016/j.bmc.2012.01.043
None	Unchecked	Inhibition	nan	%	10.1021/acs.jnatprod.9b01185