Details of the Drug

General Information of Drug (ID: DM9QBAZ)

Drug Name

5-chloro-2-(4-phenylbutyl)isoindoline-1,3-dione

Synonyms

CHEMBL397849

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)

313.8

Logarithm of the Partition Coefficient (xlogp)

4.2

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C18H16ClNO2
IUPAC Name: 5-chloro-2-(4-phenylbutyl)isoindole-1,3-dione
Canonical SMILES: C1=CC=C(C=C1)CCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Cl
InChI: InChI=1S/C18H16ClNO2/c19-14-9-10-15-16(12-14)18(22)20(17(15)21)11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12H,4-5,8,11H2
InChIKey: QQYWRVQHDFXEFG-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	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.