Molecule

9-amino-7H-dibenzo[de,h]quinolin-7-one

AlkaPlorer ID: AK001351

Synonym: None

IUPAC Name: 5-amino-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one

SMILES: C1=CC2=C3C(=C1)C(=O)C4=C(C3=NC=C2)C=CC(=C4)N

InChI: InChI=1S/C16H10N2O/c17-10-4-5-11-13(8-10)16(19)12-3-1-2-9-6-7-18-15(11)14(9)12/h1-8H,17H2

InChIKey: SWTAISDIUOZWOE-UHFFFAOYSA-N

PubChem CID: 44440937

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Molecule Weight: 246.26899999999998

TPSA？: 55.980000000000004

MolLogP？: 3.0284000000000004

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 4

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Electrophorus electricus	Acetylcholinesterase	IC50	26900.0	nM	10.1016/j.bmcl.2007.04.015
Electrophorus electricus	Acetylcholinesterase	IC50	26900.0	nM	10.1016/j.ejmech.2009.01.021
Electrophorus electricus	Acetylcholinesterase	IC50	100000.0	nM	10.1016/j.ejmech.2011.08.002
Electrophorus electricus	Acetylcholinesterase	Inhibition	nan	%	10.1016/j.ejmech.2011.08.002
Electrophorus electricus	Acetylcholinesterase	Ki	3860.0	nM	10.1016/j.ejmech.2009.01.021
Equus caballus	Butyrylcholinesterase	IC50	100000.0	nM	10.1016/j.bmcl.2007.04.015
Equus caballus	Cholinesterase	IC50	100000.0	nM	10.1016/j.ejmech.2009.01.021
Equus caballus	Cholinesterase	IC50	100000.0	nM	10.1016/j.ejmech.2011.08.002
Homo sapiens	HepG2	IC50	19680.0	nM	10.1016/j.ejmech.2007.07.004
Homo sapiens	MCF7	IC50	20400.0	nM	10.1016/j.ejmech.2007.07.004
Homo sapiens	NCI-H460	IC50	35530.0	nM	10.1016/j.ejmech.2007.07.004
None	Unchecked	Inhibition	nan	%	10.1016/j.ejmech.2011.08.002
None	Unchecked	Ratio IC50	4.0	None	10.1016/j.ejmech.2009.01.021