Molecule

1-(8-Quinolinyl)-β-carboline; 1,2,3,4-Tetrahydro

AlkaPlorer ID: AK048400

Synonym: Komarovicine

IUPAC Name: 1-quinolin-8-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

SMILES: C1=CN=C2C(C3NCCC4=C3NC3=CC=CC=C43)=CC=CC2=C1

InChI: InChI=1S/C20H17N3/c1-2-9-17-14(7-1)15-10-12-22-19(20(15)23-17)16-8-3-5-13-6-4-11-21-18(13)16/h1-9,11,19,22-23H,10,12H2

InChIKey: MFLKAHOBCOBBJX-UHFFFAOYSA-N

PubChem CID: 3632369

LOTUS: LTS0026436

COCONUT: CNP0150715

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Nitraria komarovii	Nitraria	Nitrariaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 299.37700000000007

TPSA？: 40.71

MolLogP？: 3.951200000000002

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 5

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Aldehyde dehydrogenase 1A1	Potency	31622.8	nM	None
Homo sapiens	Geminin	Potency	1636.0	nM	None
Homo sapiens	Glucagon-like peptide 1 receptor	Potency	28183.8	nM	None
Homo sapiens	Glucocorticoid receptor	Activity	nan	None	10.1016/j.bmc.2018.01.019
Homo sapiens	LXR-alpha	Activity	nan	None	10.1016/j.bmc.2018.01.019
Homo sapiens	LXR-beta	Activity	nan	None	10.1016/j.bmc.2018.01.019
Homo sapiens	Lysine-specific demethylase 4A	Potency	56234.1	nM	None
Homo sapiens	Peroxisome proliferator-activated receptor alpha	Activity	nan	None	10.1016/j.bmc.2018.01.019
Homo sapiens	Peroxisome proliferator-activated receptor delta	Activity	nan	None	10.1016/j.bmc.2018.01.019
Homo sapiens	Peroxisome proliferator-activated receptor gamma	Activity	24.0	%	10.1016/j.bmc.2018.01.019
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	18356.4	nM	None
Plasmodium falciparum	Plasmodium falciparum	Potency	18526.0	nM	None
None	Unchecked	Activity	nan	None	10.1016/j.bmc.2018.01.019