Molecule

11-methoxy-16-azatetracyclo[7.7.1.0²,?.0¹³,¹?]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one

AlkaPlorer ID: AK058465

Synonym: None

IUPAC Name: 11-methoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one

SMILES: COC1=CC2=C3C(=NC=CC3=C1)C1=CC=CC=C1C2=O

InChI: InChI=1S/C17H11NO2/c1-20-11-8-10-6-7-18-16-12-4-2-3-5-13(12)17(19)14(9-11)15(10)16/h2-9H,1H3

InChIKey: MTXYFFAYNUTIGA-UHFFFAOYSA-N

PubChem CID: 15634400

NPASS: NPC470020

COCONUT: CNP0079549

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Sciadotenia toxifera	Sciadotenia	Menispermaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 261.28000000000003

TPSA？: 39.19

MolLogP？: 3.454800000000001

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 4

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	AGS	IC50	2090.0	nM	10.1021/np100370g
Homo sapiens	AGS	IC50	100000.0	nM	10.1016/j.ejmech.2013.01.049
Homo sapiens	J82	IC50	2090.0	nM	10.1021/np100370g
Homo sapiens	J82	IC50	100000.0	nM	10.1016/j.ejmech.2013.01.049
Homo sapiens	Monoamine oxidase A	IC50	0.83	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	100000.0	nM	10.1016/j.bmcl.2012.10.092
Homo sapiens	MRC5	IC50	100000.0	nM	10.1016/j.ejmech.2013.01.049
Homo sapiens	SK-MES-1	IC50	2090.0	nM	10.1021/np100370g
Homo sapiens	SK-MES-1	IC50	100000.0	nM	10.1016/j.ejmech.2013.01.049
Plasmodium falciparum	Plasmodium falciparum	IC50	6400.0	nM	10.1016/j.bmcl.2012.10.092
None	NON-PROTEIN TARGET	IC50	2090.0	nM	10.1021/np100370g
None	Unchecked	Ratio IC50	15.6	None	10.1016/j.bmcl.2012.10.092
None	Unchecked	Ratio IC50	120482.0	None	10.1016/j.ejmech.2011.09.045