Molecule

[3,3':3'(2'H),3''-Ter-1H-indol]-2'-one

AlkaPlorer ID: AK050363

Synonym: 3,3-Di-3-indolyl-2-indolone, Trisindoline

IUPAC Name: 3,3-bis(1H-indol-3-yl)-1H-indol-2-one

SMILES: O=C1NC2=CC=CC=C2C1(C1=CNC2=CC=CC=C12)C1=CNC2=CC=CC=C12

InChI: InChI=1S/C24H17N3O/c28-23-24(17-9-3-6-12-22(17)27-23,18-13-25-20-10-4-1-7-15(18)20)19-14-26-21-11-5-2-8-16(19)21/h1-14,25-26H,(H,27,28)

InChIKey: BSOAGODEMKWJIG-UHFFFAOYSA-N

PubChem CID: 2883607

LOTUS: LTS0262721

COCONUT: CNP0114969

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NPAtlas: NPA017110

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

Molecule Weight: 363.4200000000001

TPSA？: 60.68

MolLogP？: 4.935700000000002

Number of H-Donors: 3

Number of H-Acceptors: 1

RingCount: 6

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	A549	IC50	1230.0	nM	10.1016/j.bmcl.2012.02.011
Homo sapiens	A549	IC50	8600.0	nM	10.1016/j.bmcl.2010.06.152
Homo sapiens	Alpha glucosidase	IC50	5900.0	nM	10.1016/j.ejmech.2019.04.025
Homo sapiens	DU-145	IC50	8700.0	nM	10.1016/j.bmcl.2010.06.152
Homo sapiens	HepG2	IC50	20400.0	nM	10.1016/j.bmcl.2010.06.152
Homo sapiens	MCF7	IC50	49800.0	nM	10.1016/j.bmcl.2010.06.152
Homo sapiens	MDA-MB-231	IC50	100000.0	nM	10.1016/j.bmcl.2012.02.011
Homo sapiens	MRC5	IC50	100000.0	nM	10.1016/j.bmcl.2012.02.011
Homo sapiens	SK-N-SH	IC50	900.0	nM	10.1016/j.bmcl.2012.02.011
Homo sapiens	SK-N-SH	IC50	11300.0	nM	10.1016/j.bmcl.2010.06.152
None	Spermatozoa	MEC	2.4	mg/ml	10.1016/j.bmcl.2009.06.049