Molecule

Sid124895033

AlkaPlorer ID: AK050460

Synonym: None

IUPAC Name: 3-[bis(1H-indol-3-yl)methyl]-1H-indole

Structure

SMILES: C1=CC=C2C(C(C3=CNC4=CC=CC=C34)C3=CNC4=CC=CC=C34)=CNC2=C1

InChI: InChI=1S/C25H19N3/c1-4-10-22-16(7-1)19(13-26-22)25(20-14-27-23-11-5-2-8-17(20)23)21-15-28-24-12-6-3-9-18(21)24/h1-15,25-28H

InChIKey: AXZRNKFNIAOZEK-UHFFFAOYSA-N

Reference

New Indole Alkaloids from the North Sea Bacterium <i>Vibrio parahaemolyticus</i> Bio249

PubChem CID: 254323

CAS: 518-06-9

LOTUS: LTS0039525

COCONUT: CNP0104535

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Vibrio parahaemolyticus	Vibrio	Vibrionaceae	Vibrionales	Gammaproteobacteria	Pseudomonadota	None	Bacteria

Properties Information

Molecule Weight: 361.448

TPSA？: 47.37

MolLogP？: 6.310700000000003

Number of H-Donors: 3

Number of H-Acceptors: 0

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bacillus subtilis	Bacillus subtilis	Activity	nan	None	10.1021/np030288g
Bacillus subtilis	Bacillus subtilis	MIC	250.0	ug.mL-1	10.1007/s00044-013-0737-7
Candida albicans	Candida albicans	Activity	nan	None	10.1021/np030288g
Escherichia coli	Escherichia coli	Activity	nan	None	10.1021/np030288g
Escherichia coli	Escherichia coli	MIC	125.0	ug.mL-1	10.1007/s00044-013-0737-7
Homo sapiens	DNA polymerase iota	Potency	100000.0	nM	None
Homo sapiens	Free fatty acid receptor 1	Activity	nan	None	10.1021/acs.jmedchem.6b01593
Homo sapiens	G-protein coupled receptor 120	Activity	nan	None	10.1021/acs.jmedchem.6b01593
Homo sapiens	G-protein coupled receptor 120	Inhibition	nan	%	10.1021/acs.jmedchem.6b01593
Homo sapiens	G-protein coupled receptor 84	EC50	10000.0	nM	10.1021/acs.jmedchem.6b01593
Homo sapiens	G-protein coupled receptor 84	Emax	-10.0	%	10.1021/acs.jmedchem.6b01593
Homo sapiens	G-protein coupled receptor 84	Emax	10.0	%	10.1021/acs.jmedchem.6b01593
Homo sapiens	G-protein coupled receptor 84	Inhibition	nan	%	10.1021/acs.jmedchem.6b01593
Homo sapiens	HepG2	Potency	35481.3	nM	None
Homo sapiens	Mothers against decapentaplegic homolog 3	Potency	10000.0	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	35481.3	nM	None
Lactococcus lactis	Lactococcus lactis	MIC	500.0	ug.mL-1	10.1007/s00044-013-0737-7
Mycolicibacterium smegmatis	Mycolicibacterium smegmatis	MIC	31.2	ug.mL-1	10.1007/s00044-013-0737-7
Plasmodium falciparum	Plasmodium falciparum	Inhibition	-27.0	%	10.6019/CHEMBL4888484
Plasmodium falciparum	Plasmodium falciparum	Z score	3.19	None	10.6019/CHEMBL4888484
Proteus mirabilis	Proteus mirabilis	MIC	250.0	ug.mL-1	10.1007/s00044-013-0737-7
Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	125.0	ug.mL-1	10.1007/s00044-013-0737-7
Rhizomucor miehei	Rhizomucor miehei	Activity	nan	None	10.1021/np030288g
Shigella flexneri	Shigella flexneri	MIC	250.0	ug.mL-1	10.1007/s00044-013-0737-7
Staphylococcus aureus	Staphylococcus aureus	Activity	nan	None	10.1021/np030288g
Staphylococcus aureus	Staphylococcus aureus	MIC	250.0	ug.mL-1	10.1007/s00044-013-0737-7
Streptomyces viridochromogenes	Streptomyces viridochromogenes	Activity	nan	None	10.1021/np030288g
None	ADMET	Activity	20.0	%	10.1007/s00044-013-0737-7
None	ADMET	Activity	nan	None	10.1007/s00044-013-0737-7
None	NON-PROTEIN TARGET	MIC	31.2	ug.mL-1	10.1007/s00044-013-0737-7
None	NON-PROTEIN TARGET	MIC	125.0	ug.mL-1	10.1007/s00044-013-0737-7