Molecule

13-methoxy-6-methyl-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-4,7,9(16),10,12,14-hexaene-2,3-dione

AlkaPlorer ID: AK057534

Synonym: None

IUPAC Name: 13-methoxy-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-4,7,9(16),10(15),11,13-hexaene-2,3-dione

SMILES: COC1=CC=C2C3=C4C(=CC(=O)C(=O)N4C2=C1)N(C)C=C3

InChI: InChI=1S/C16H12N2O3/c1-17-6-5-11-10-4-3-9(21-2)7-12(10)18-15(11)13(17)8-14(19)16(18)20/h3-8H,1-2H3

InChIKey: OXLYRYAVJWCSDD-UHFFFAOYSA-N

PubChem CID: 10912909

LOTUS: LTS0199958

SuperNatural Ⅲ: SN0277804

COCONUT: CNP0249155

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Eurycoma longifolia	Eurycoma	Simaroubaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 280.283

TPSA？: 52.71

MolLogP？: 1.7025999999999997

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 4

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Dual specificity protein phosphatase 3	Inhibition	61.4	%	10.1016/j.bmcl.2015.03.014
Homo sapiens	HepG2	Selectivity Index	1.8	None	10.1016/j.bmcl.2015.03.014
Homo sapiens	Protein-tyrosine phosphatase 1B	IC50	19180.0	nM	10.1016/j.bmcl.2015.03.014
Homo sapiens	Protein-tyrosine phosphatase 1B	Inhibition	93.8	%	10.1016/j.bmcl.2015.03.014
Homo sapiens	Protein-tyrosine phosphatase 1B	Ki	12940.0	nM	10.1016/j.bmcl.2015.03.014
Homo sapiens	Protein-tyrosine phosphatase 1C	Inhibition	28.7	%	10.1016/j.bmcl.2015.03.014
Homo sapiens	Protein-tyrosine phosphatase 2C	Inhibition	44.4	%	10.1016/j.bmcl.2015.03.014
Homo sapiens	T-cell protein-tyrosine phosphatase	Inhibition	15.0	%	10.1016/j.bmcl.2015.03.014
Meriones unguiculatus	Meriones unguiculatus	Activity	40.0	%	10.1016/j.bmcl.2016.09.006
Meriones unguiculatus	Meriones unguiculatus	Activity	53.8	%	10.1016/j.bmcl.2016.09.006
None	Unchecked	Ratio	1.5	None	10.1016/j.bmcl.2015.03.014
None	Unchecked	Ratio	2.1	None	10.1016/j.bmcl.2015.03.014
None	Unchecked	Ratio	3.3	None	10.1016/j.bmcl.2015.03.014
None	Unchecked	Ratio	6.3	None	10.1016/j.bmcl.2015.03.014