Details of the Drug

General Information of Drug (ID: DMUWZD9)

Drug Name
PMID28766366-Compound-Scheme8NCGC-00189310
Drug Type
Small molecular drug
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
ChEBI ID
CHEMBL1551169
TTD ID
D0JQ0Z
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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.