Molecule

Picrasidine L

AlkaPlorer ID: AK007771

Synonym: ''

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

SMILES: CN1C=CC2=C3C1=CC(=O)C(=O)N3C1=CC=CC=C21

InChI: InChI=1S/C15H10N2O2/c1-16-7-6-10-9-4-2-3-5-11(9)17-14(10)12(16)8-13(18)15(17)19/h2-8H,1H3

InChIKey: YIFMSNBQADOPBX-UHFFFAOYSA-N

PubChem CID: 5324104

CAS: 96405-70-8

LOTUS: LTS0034610

COCONUT: CNP0210624

data_source: manually

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Picrasma quassioides	Picrasma	Simaroubaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 250.257

TPSA？: 43.48

MolLogP？: 1.6939999999999995

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 4

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Dual specificity protein phosphatase 3	Inhibition	20.6	%	10.1016/j.bmcl.2015.03.014
Homo sapiens	HepG2	Selectivity Index	2.4	None	10.1016/j.bmcl.2015.03.014
Homo sapiens	Protein-tyrosine phosphatase 1B	IC50	19800.0	nM	10.1016/j.bmcl.2015.03.014
Homo sapiens	Protein-tyrosine phosphatase 1B	Inhibition	91.4	%	10.1016/j.bmcl.2015.03.014
Homo sapiens	Protein-tyrosine phosphatase 1B	Ki	7070.0	nM	10.1016/j.bmcl.2015.03.014
Homo sapiens	Protein-tyrosine phosphatase 1C	Inhibition	13.2	%	10.1016/j.bmcl.2015.03.014
Homo sapiens	Protein-tyrosine phosphatase 2C	Inhibition	16.3	%	10.1016/j.bmcl.2015.03.014
Homo sapiens	T-cell protein-tyrosine phosphatase	Inhibition	29.0	%	10.1016/j.bmcl.2015.03.014
Meriones unguiculatus	Meriones unguiculatus	Activity	80.0	%	10.1016/j.bmcl.2016.09.006
Meriones unguiculatus	Meriones unguiculatus	Activity	84.6	%	10.1016/j.bmcl.2016.09.006
None	Unchecked	Ratio	3.2	None	10.1016/j.bmcl.2015.03.014
None	Unchecked	Ratio	4.4	None	10.1016/j.bmcl.2015.03.014
None	Unchecked	Ratio	5.6	None	10.1016/j.bmcl.2015.03.014
None	Unchecked	Ratio	6.9	None	10.1016/j.bmcl.2015.03.014