Details of the Drug

General Information of Drug (ID: DMXU5IS)

Drug Name

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

Synonyms

CHEMBL575857; N-{4-[2-(4-Hydroxyphenyl)ethyl]phenyl}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)

343.4

Logarithm of the Partition Coefficient (xlogp)

4.3

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C22H17NO3
IUPAC Name: 2-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]isoindole-1,3-dione
Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)CCC4=CC=C(C=C4)O
InChI: InChI=1S/C22H17NO3/c24-18-13-9-16(10-14-18)6-5-15-7-11-17(12-8-15)23-21(25)19-3-1-2-4-20(19)22(23)26/h1-4,7-14,24H,5-6H2
InChIKey: OFQPQJJVXCUPFR-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.