Details of the Drug

General Information of Drug (ID: DMQ5UEA)

• Drug Name: PMID28766366-Compound-Scheme16DMAT
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 476.79
  Logarithm of the Partition Coefficient (xlogp); 4.7
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C9H7Br4N3
  IUPAC Name: 4,5,6,7-tetrabromo-N,N-dimethyl-1H-benzimidazol-2-amine
  Canonical SMILES: CN(C)C1=NC2=C(N1)C(=C(C(=C2Br)Br)Br)Br
  InChI: InChI=1S/C9H7Br4N3/c1-16(2)9-14-7-5(12)3(10)4(11)6(13)8(7)15-9/h1-2H3,(H,14,15)
  InChIKey: SLPJGDQJLTYWCI-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 5326976
  CAS Number: 749234-11-5
  DrugBank ID: DB04719
  TTD ID: D02GEJ

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]
Dual-specificity tyrosine-phosphorylation regulated kinase 2 (DYRK2)	TT84OS6	DYRK2_HUMAN	Inhibitor	[1]

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.