Molecule

Phthalimide

AlkaPlorer ID: AK282771

Synonym: 1H-Isoindole-1,3(2H)-dione

IUPAC Name: isoindole-1,3-dione

Structure

SMILES: O=C1NC(=O)C2=CC=CC=C12

InChI: InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H,(H,9,10,11)

InChIKey: XKJCHHZQLQNZHY-UHFFFAOYSA-N

Reference

PubChem CID: 6809

CAS: 1074-82-4

COCONUT: CNP0474337

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Ceratostoma	Muricidae	Neogastropoda	Gastropoda	Mollusca	Metazoa	Eukaryota

Properties Information

Molecule Weight: 147.13299999999998

TPSA？: 46.17

MolLogP？: 0.5702

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Acyl coenzyme A:cholesterol acyltransferase	Activity	nan	None	10.1021/jm061471k
Homo sapiens	Glycogen synthase kinase-3 beta	IC50	20220.0	nM	10.1021/acsmedchemlett.8b00507
Homo sapiens	Glycogen synthase kinase-3 beta	Inhibition	nan	%	10.1021/acsmedchemlett.8b00507
Homo sapiens	Histone deacetylase	Inhibition	nan	%	10.1021/acsmedchemlett.8b00507
Homo sapiens	Histone deacetylase 1	Inhibition	nan	%	10.1021/acsmedchemlett.8b00507
Homo sapiens	Histone deacetylase 6	Inhibition	nan	%	10.1021/acsmedchemlett.8b00507
Homo sapiens	Monoamine oxidase A	IC50	165000.0	nM	10.1016/j.bmc.2011.06.070
Homo sapiens	Monoamine oxidase B	IC50	134000.0	nM	10.1016/j.bmc.2011.06.070
Homo sapiens	SH-SY5Y	Activity	nan	None	10.1021/acsmedchemlett.8b00507
Mus musculus	Mus musculus	Control	44.0	%	10.1021/jm00356a022
Mus musculus	Mus musculus	Control	44.0	%	10.1021/jm00356a023
Mus musculus	Mus musculus	Control	44.0	%	10.1021/jm00372a011
Mus musculus	Mus musculus	Control	57.0	%	10.1021/jm00356a022
Mus musculus	Mus musculus	Control	57.0	%	10.1021/jm00356a023
Mus musculus	Mus musculus	Control	57.0	%	10.1021/jm00372a011
Mus musculus	Mus musculus	Control	63.0	%	10.1021/jm00356a022
Mus musculus	Mus musculus	Control	63.0	%	10.1021/jm00356a023
Mus musculus	Mus musculus	Control	63.0	%	10.1021/jm00372a011
Mus musculus	Mus musculus	Inhibition	37.0	%	10.1021/jm00379a003
Mus musculus	Mus musculus	Inhibition	43.0	%	10.1021/jm00379a003
Mus musculus	Mus musculus	Inhibition	56.0	%	10.1021/jm00379a003
None	Cerebellar granule neurone	Activity	nan	None	10.1021/acsmedchemlett.8b00507
None	Microglia	Activity	nan	None	10.1021/acsmedchemlett.8b00507
None	Unchecked	Activity	nan	None	10.1021/jm061471k
None	Unchecked	Anticonvulsant activity	nan	None	10.1016/s0960-894x(03)00535-3

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT017281	NC(=O)c1ccccc1C(=O)O>>O=C1NC(=O)c2ccccc21	MNXR141595
AKRT023599	O=C1NC(=O)c2ccccc21>>NC(=O)c1ccccc1C(=O)O	enzymemap_78452