Details of the Drug

General Information of Drug (ID: DMA423P)

Drug Name
PMID28766366-Compound-Scheme15-3
Drug Type
Small molecular drug
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
ChEBI ID
CHEMBL1213041
CAS Number
80395-50-2
TTD ID
D0X0ZC
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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.