Details of the Drug

General Information of Drug (ID: DMWSDZ9)

Drug Name

N-bis-(3-phenyl-propyl)9-oxo-fluorene-2,7-diamide

Synonyms

9H-Fluorene-2,7-dicarboxamide, 9-oxo-N,N'-bis(3-phenylpropyl)-; 443794-40-9; SCHEMBL4158879; CTK1C7933

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): 2

Molecular Weight (mw)

502.6

Logarithm of the Partition Coefficient (xlogp)

6.2

Rotatable Bond Count (rotbonds)

10

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C33H30N2O3
IUPAC Name: 9-oxo-2-N,7-N-bis(3-phenylpropyl)fluorene-2,7-dicarboxamide
Canonical SMILES: C1=CC=C(C=C1)CCCNC(=O)C2=CC3=C(C=C2)C4=C(C3=O)C=C(C=C4)C(=O)NCCCC5=CC=CC=C5
InChI: InChI=1S/C33H30N2O3/c36-31-29-21-25(32(37)34-19-7-13-23-9-3-1-4-10-23)15-17-27(29)28-18-16-26(22-30(28)31)33(38)35-20-8-14-24-11-5-2-6-12-24/h1-6,9-12,15-18,21-22H,7-8,13-14,19-20H2,(H,34,37)(H,35,38)
InChIKey: OKGPGSVMCACUID-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Poly [ADP-ribose] glycohydrolase (PARG)	TT39J16	PARG_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Post-treatment with a novel PARG inhibitor reduces infarct in cerebral ischemia in the rat. Brain Res. 2003 Jul 18;978(1-2):99-103.