Details of the Drug

General Information of Drug (ID: DMZ4N7Q)

Drug Name

N-{4-[2-(3-Methoxyphenyl)ethyl]phenyl}phthalimide

Synonyms

CHEMBL572484; N-{4-[2-(3-Methoxyphenyl)ethyl]phenyl}phthalimide

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

357.4

Topological Polar Surface Area (xlogp)

4.6

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C23H19NO3
IUPAC Name: 2-[4-[2-(3-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione
Canonical SMILES: COC1=CC=CC(=C1)CCC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O
InChI: InChI=1S/C23H19NO3/c1-27-19-6-4-5-17(15-19)10-9-16-11-13-18(14-12-16)24-22(25)20-7-2-3-8-21(20)23(24)26/h2-8,11-15H,9-10H2,1H3
InChIKey: CNZNMDJWLSHLJZ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 45481844
TTD ID: D0R8LN

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Oxysterols receptor LXR-alpha (NR1H3)	TTECBXN	NR1H3_HUMAN	Inhibitor	[1]
Oxysterols receptor LXR-beta (NR1H2)	TTXA6PH	NR1H2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Separation of alpha-glucosidase-inhibitory and liver X receptor-antagonistic activities of phenethylphenyl phthalimide analogs and generation of LX... Bioorg Med Chem. 2009 Jul 15;17(14):5001-14.
2	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
4	Sterol intermediates from cholesterol biosynthetic pathway as liver X receptor ligands. J Biol Chem. 2006 Sep 22;281(38):27816-26.
5	A novel liver X receptor agonist establishes species differences in the regulation of cholesterol 7alpha-hydroxylase (CYP7a). Endocrinology. 2002 Jul;143(7):2548-58.
6	Indazole-based liver X receptor (LXR) modulators with maintained atherosclerotic lesion reduction activity but diminished stimulation of hepatic tr... J Med Chem. 2008 Nov 27;51(22):7161-8.
7	27-hydroxycholesterol is an endogenous ligand for liver X receptor in cholesterol-loaded cells. J Biol Chem. 2001 Oct 19;276(42):38378-87.
8	An oxysterol signalling pathway mediated by the nuclear receptor LXR alpha. Nature. 1996 Oct 24;383(6602):728-31.
9	Structure-guided design of N-phenyl tertiary amines as transrepression-selective liver X receptor modulators with anti-inflammatory activity. J Med Chem. 2008 Sep 25;51(18):5758-65.
10	Co-existence of alpha-glucosidase-inhibitory and liver X receptor-regulatory activities and their separation by structural development. Bioorg Med Chem. 2008 Apr 15;16(8):4272-85.
11	Liver X receptor antagonists with a phthalimide skeleton derived from thalidomide-related glucosidase inhibitors. Bioorg Med Chem Lett. 2007 Jul 15;17(14):3957-61.
12	Liver X receptor modulators. US9073931.
13	Piperazine derivatives as liver X receptor modulators. US10144715.
14	Liver X receptor modulators. US9006244.