Details of the Drug

General Information of Drug (ID: DMQ5UEA)

Drug Name
PMID28766366-Compound-Scheme16DMAT
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#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
ChEBI ID
CHEMBL376505
CAS Number
749234-11-5
TTD ID
D02GEJ
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE 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]
Dual-specificity tyrosine-phosphorylation regulated kinase 2 (DYRK2) TT84OS6 DYRK2_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.