Details of the Drug | DrugMAP

General Information of Drug (ID: DM3Q1FT)

Drug Name	PMID28766366-Compound-Scheme27LeucettamineB
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			245.23
	Logarithm of the Partition Coefficient (xlogp)			0.8
	Rotatable Bond Count (rotbonds)			1
	Hydrogen Bond Donor Count (hbonddonor)			1
	Hydrogen Bond Acceptor Count (hbondacc)			4
Chemical Identifiers	Formula C12H11N3O3 IUPAC Name (5Z)-2-amino-5-(1,3-benzodioxol-5-ylmethylidene)-3-methylimidazol-4-one Canonical SMILES CN1C(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/N=C1N InChI InChI=1S/C12H11N3O3/c1-15-11(16)8(14-12(15)13)4-7-2-3-9-10(5-7)18-6-17-9/h2-5H,6H2,1H3,(H2,13,14)/b8-4- InChIKey PKEDBIGNILOTHW-YWEYNIOJSA-N
Cross-matching ID	PubChem CID 10037501 TTD ID D0NS6I

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (DYRK1A)	TTSBVFO	DYR1A_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Dual-specificity tyrosine phosphorylation-regulated kinase 1A (DYRK1A) inhibitors: a survey of recent patent literature.Expert Opin Ther Pat. 2017 Nov;27(11):1183-1199.