Details of the Drug | DrugMAP

General Information of Drug (ID: DMCVBPF)

Drug Name	N-naphtyl-N-benzylurea derivative 1
Synonyms	PMID27828716-Compound-1
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			276.3
	Topological Polar Surface Area (xlogp)			3
	Rotatable Bond Count (rotbonds)			3
	Hydrogen Bond Donor Count (hbonddonor)			2
	Hydrogen Bond Acceptor Count (hbondacc)			1
Chemical Identifiers	Formula C18H16N2O IUPAC Name 1-benzyl-3-naphthalen-1-ylurea Canonical SMILES C1=CC=C(C=C1)CNC(=O)NC2=CC=CC3=CC=CC=C32 InChI InChI=1S/C18H16N2O/c21-18(19-13-14-7-2-1-3-8-14)20-17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2,(H2,19,20,21) InChIKey FWIZGBBRZIIRBG-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 668231 TTD ID D0UZ7I

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glycogen synthase kinase-3 alpha (GSK-3A)	TTRZQE3	GSK3A_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Glycogen synthase kinase 3 (GSK-3) inhibitors: a patent update (2014-2015).Expert Opin Ther Pat. 2017 Jun;27(6):657-666.
2	Challenges and new opportunities in the investigation of new drug therapies to treat frontotemporal dementia. Expert Opin Ther Targets. 2008 Nov;12(11):1367-76.
3	The GSK3 kinase inhibitor lithium produces unexpected hyperphosphorylation of -catenin, a GSK3 substrate, in human glioblastoma cells. Biol Open. 2018 Jan 26;7(1):bio030874.