Molecule

3-{9H-pyrido[3,4-b]indol-1-yl}-1H-indole

AlkaPlorer ID: AK165516

Synonym: None

IUPAC Name: 1-(1H-indol-3-yl)-9H-pyrido[3,4-b]indole

Structure

SMILES: C1=CC=C2C(C3=NC=CC4=C3NC3=CC=CC=C34)=CNC2=C1

InChI: InChI=1S/C19H13N3/c1-3-7-16-13(6-1)15(11-21-16)18-19-14(9-10-20-18)12-5-2-4-8-17(12)22-19/h1-11,21-22H

InChIKey: OGIMCDMIYGVEHU-UHFFFAOYSA-N

Reference

Eudistomin U and Isoeudistomin U, New Alkaloids from the Carribean Ascidian Lissoclinum fragile

PubChem CID: 10334023

LOTUS: LTS0190558

COCONUT: CNP0109077

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Lissoclinum fragile	Lissoclinum	Didemnidae	Aplousobranchia	Ascidiacea	Chordata	Metazoa	Eukaryota

Properties Information

Molecule Weight: 283.334

TPSA？: 44.47

MolLogP？: 4.8644000000000025

Number of H-Donors: 2

Number of H-Acceptors: 1

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bos taurus	Calf thymus DNA	Activity	20.0	nm	10.1016/j.bmcl.2016.08.047
Bos taurus	Calf thymus DNA	Activity	nan	None	10.1016/j.bmcl.2016.08.047
Bos taurus	Calf thymus DNA	Delta Tm	2.3	degrees C	10.1016/j.bmcl.2016.08.047
Bos taurus	Calf thymus DNA	Tm	56.0	degrees C	10.1016/j.bmcl.2016.08.047
Bos taurus	Calf thymus DNA	Tm	67.0	degrees C	10.1016/j.bmcl.2016.08.047
Candida albicans	Candida albicans	IC50	30.0	ug.mL-1	10.1016/j.bmcl.2014.05.049
Escherichia coli	Escherichia coli	IC50	12.3	ug.mL-1	10.1016/j.bmcl.2014.05.049
Homo sapiens	Serotonin 2b (5-HT2b) receptor	Ki	170.0	nM	10.1021/acs.jmedchem.0c01887
Homo sapiens	Serotonin 2c (5-HT2c) receptor	Ki	170.0	nM	10.1021/acs.jmedchem.0c01887
Homo sapiens	Serotonin 5a (5-HT5a) receptor	Ki	170.0	nM	10.1021/acs.jmedchem.0c01887
Mus musculus	P388	GI	38.0	%	10.1016/j.bmcl.2014.05.049
Mycolicibacterium smegmatis	Mycolicibacterium smegmatis	IC50	3.6	ug.mL-1	10.1016/j.bmcl.2014.05.049
Plasmodium falciparum	Plasmodium falciparum	IC50	14400.0	nM	10.1016/j.ejmech.2021.113536
Pseudomonas aeruginosa	Pseudomonas aeruginosa	IC50	27.7	ug.mL-1	10.1016/j.bmcl.2014.05.049
Saccharomyces cerevisiae	Saccharomyces cerevisiae	IC50	300.0	ug.mL-1	10.1016/j.bmcl.2014.05.049
Staphylococcus aureus	Staphylococcus aureus	IC50	6.4	ug.mL-1	10.1016/j.bmcl.2014.05.049
Streptococcus pyogenes	Streptococcus pyogenes	IC50	3.4	ug.mL-1	10.1016/j.bmcl.2014.05.049
None	NON-PROTEIN TARGET	IC50	15.6	ug.mL-1	10.1016/j.bmcl.2014.05.049
None	NON-PROTEIN TARGET	IC50	24.9	ug.mL-1	10.1016/j.bmcl.2014.05.049
None	NON-PROTEIN TARGET	IC50	27.5	ug.mL-1	10.1016/j.bmcl.2014.05.049
None	Unchecked	Activity	nan	None	10.1016/j.bmcl.2016.08.047
None	Unchecked	IC50	15600.0	nM	10.1016/j.ejmech.2021.113321