Details of the Drug

General Information of Drug (ID: DMQA8N3)

• Drug Name: PAULLONE
• Synonyms: Paullone; 142273-18-5; 7,12-Dihydroindolo[3,2-d][1]benzazepin-6(5H)-one; CHEMBL430574; NSC641166; NSC 641166; 7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one; 8,18-diazatetracyclo[9.7.0.0; {12,17}]octadeca-1(11),2,4,6,12(17),13,15-heptaen-9-one; AC1Q6O0K; AC1L7YZ4; BDBM7287; SCHEMBL3178594; CTK4C3026; DTXSID30327277; CHEBI:138487; ZINC1626613; AKOS024113922; NSC-641166; NCI60_013826; RT-014947; FT-0673529

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 248.28
  Logarithm of the Partition Coefficient (xlogp); 2.6
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C16H12N2O
  IUPAC Name: 7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one
  Canonical SMILES: C1C2=C(C3=CC=CC=C3NC1=O)NC4=CC=CC=C24
  InChI: InChI=1S/C16H12N2O/c19-15-9-12-10-5-1-3-7-13(10)18-16(12)11-6-2-4-8-14(11)17-15/h1-8,18H,9H2,(H,17,19)
  InChIKey: VGMDAWVZNAXVDG-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 369401
  ChEBI ID: CHEBI:138487
  CAS Number: 142273-18-5
  TTD ID: D0D5ZL

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glycogen synthase kinase-3 beta (GSK-3B)	TTRSMW9	GSK3B_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Glycogen synthase kinase-3 beta (GSK-3B)	DTT	GSK3B	1.26E-01	-0.23	-0.77

References

• [1] Discovery of potent and bioavailable GSK-3beta inhibitors. Bioorg Med Chem Lett. 2010 Mar 1;20(5):1693-6.