Details of the Drug | DrugMAP

General Information of Drug (ID: DMNKRSZ)

Drug Name	PMID28766366-Compound-Scheme24Paprotrain
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			245.28
	Logarithm of the Partition Coefficient (xlogp)			2.8
	Rotatable Bond Count (rotbonds)			2
	Hydrogen Bond Donor Count (hbonddonor)			1
	Hydrogen Bond Acceptor Count (hbondacc)			2
Chemical Identifiers	Formula C16H11N3 IUPAC Name (Z)-2-(1H-indol-3-yl)-3-pyridin-3-ylprop-2-enenitrile Canonical SMILES C1=CC=C2C(=C1)C(=CN2)/C(=C/C3=CN=CC=C3)/C#N InChI InChI=1S/C16H11N3/c17-9-13(8-12-4-3-7-18-10-12)15-11-19-16-6-2-1-5-14(15)16/h1-8,10-11,19H/b13-8+ InChIKey YMYYQRZCCKBFBE-MDWZMJQESA-N
Cross-matching ID	PubChem CID 12248889 TTD ID D09UNF

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.