Molecule

1-Azabenzanthrone

AlkaPlorer ID: AK006348

Synonym: None

IUPAC Name: 16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one

SMILES: C1=CC=C2C(=C1)C3=NC=CC4=C3C(=CC=C4)C2=O

InChI: InChI=1S/C16H9NO/c18-16-12-6-2-1-5-11(12)15-14-10(8-9-17-15)4-3-7-13(14)16/h1-9H

InChIKey: INSNNVNWDYCOBU-UHFFFAOYSA-N

PubChem CID: 13147660

CAS: 65543-67-1

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Molecule Weight: 231.25399999999996

TPSA？: 29.96

MolLogP？: 3.446200000000002

Number of H-Donors: 0

Number of H-Acceptors: 2

RingCount: 4

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bos taurus	DNA	Ki	10400.0	nM	10.1016/j.ejmech.2007.07.004
Homo sapiens	A549	IC50	26180.0	nM	10.1016/j.ejmech.2022.114300
Homo sapiens	AGS	IC50	32900.0	nM	10.1016/j.ejmech.2013.01.049
Homo sapiens	HepG2	IC50	28180.0	nM	10.1016/j.ejmech.2022.114300
Homo sapiens	HepG2	IC50	100000.0	nM	10.1016/j.ejmech.2007.07.004
Homo sapiens	J82	IC50	93600.0	nM	10.1016/j.ejmech.2013.01.049
Homo sapiens	L02	IC50	50000.0	nM	10.1016/j.ejmech.2022.114300
Homo sapiens	MCF7	IC50	23970.0	nM	10.1016/j.ejmech.2022.114300
Homo sapiens	MCF7	IC50	100000.0	nM	10.1016/j.ejmech.2007.07.004
Homo sapiens	MDA-MB-231	IC50	32180.0	nM	10.1016/j.ejmech.2022.114300
Homo sapiens	Monoamine oxidase A	IC50	720.0	nM	10.1016/j.ejmech.2011.09.045
Homo sapiens	Monoamine oxidase B	IC50	100000.0	nM	10.1016/j.ejmech.2011.09.045
Homo sapiens	MRC5	IC50	41600.0	nM	10.1016/j.bmcl.2012.10.092
Homo sapiens	MRC5	IC50	41600.0	nM	10.1016/j.ejmech.2013.01.049
Homo sapiens	NCI/ADR-RES	IC50	40850.0	nM	10.1016/j.ejmech.2022.114300
Homo sapiens	SK-MES-1	IC50	100000.0	nM	10.1016/j.ejmech.2013.01.049
Plasmodium falciparum	Plasmodium falciparum	IC50	230000.0	nM	10.1016/j.bmcl.2012.10.092
None	Unchecked	Ratio IC50	0.18	None	10.1016/j.bmcl.2012.10.092
None	Unchecked	Ratio IC50	139.0	None	10.1016/j.ejmech.2011.09.045