Details of the Drug

General Information of Drug (ID: DM5NLQE)

Drug Name

2-(2-phenethylphenyl)isoindoline-1,3-dione

Synonyms

CHEMBL246144; PP2P; SCHEMBL2464969; BDBM23840; N-(2-Phenethylphenyl)phthalimide

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

327.4

Logarithm of the Partition Coefficient (xlogp)

4.6

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C22H17NO2
IUPAC Name: 2-[2-(2-phenylethyl)phenyl]isoindole-1,3-dione
Canonical SMILES: C1=CC=C(C=C1)CCC2=CC=CC=C2N3C(=O)C4=CC=CC=C4C3=O
InChI: InChI=1S/C22H17NO2/c24-21-18-11-5-6-12-19(18)22(25)23(21)20-13-7-4-10-17(20)15-14-16-8-2-1-3-9-16/h1-13H,14-15H2
InChIKey: XGSWAPNRKGOSKD-UHFFFAOYSA-N

Cross-matching ID

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]

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Molecular Interaction Atlas (MIA)

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.