Details of the Drug | DrugMAP

General Information of Drug (ID: DMUWZD9)

Drug Name	PMID28766366-Compound-Scheme8NCGC-00189310
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			335.4
	Logarithm of the Partition Coefficient (xlogp)			5
	Rotatable Bond Count (rotbonds)			4
	Hydrogen Bond Donor Count (hbonddonor)			1
	Hydrogen Bond Acceptor Count (hbondacc)			5
Chemical Identifiers	Formula C20H21N3O2 IUPAC Name 6-(1,3-benzodioxol-5-yl)-N-(2,2-dimethylpropyl)quinazolin-4-amine Canonical SMILES CC(C)(C)CNC1=NC=NC2=C1C=C(C=C2)C3=CC4=C(C=C3)OCO4 InChI InChI=1S/C20H21N3O2/c1-20(2,3)10-21-19-15-8-13(4-6-16(15)22-11-23-19)14-5-7-17-18(9-14)25-12-24-17/h4-9,11H,10,12H2,1-3H3,(H,21,22,23) InChIKey OSWHZHVVVZAPRN-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 46916176 TTD ID D0JQ0Z

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]

------------------------------------------------------------------------------------

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.