Details of the Drug | DrugMAP

General Information of Drug (ID: DMA423P)

Drug Name	PMID28766366-Compound-Scheme15-3
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			237.24
	Logarithm of the Partition Coefficient (xlogp)			2
	Rotatable Bond Count (rotbonds)			1
	Hydrogen Bond Donor Count (hbonddonor)			1
	Hydrogen Bond Acceptor Count (hbondacc)			5
Chemical Identifiers	Formula C9H7N3O3S IUPAC Name N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Canonical SMILES CC(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-] InChI InChI=1S/C9H7N3O3S/c1-5(13)10-9-11-7-3-2-6(12(14)15)4-8(7)16-9/h2-4H,1H3,(H,10,11,13) InChIKey XARDSBCDZPSYTN-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 731719 CAS Number 80395-50-2 TTD ID D0X0ZC

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.