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
Structure
3D MOL 2D MOL
#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
CHEMBL430574
CAS Number
142273-18-5
TTD ID
D0D5ZL
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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]
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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
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References

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