Details of the Drug

General Information of Drug (ID: DMKLIXZ)

Drug Name
Tetrabromocinnamic acid
Synonyms TBCA; tetrabromocinnamic acid
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 463.74
Logarithm of the Partition Coefficient (xlogp) 4.6
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C9H4Br4O2
IUPAC Name
(E)-3-(2,3,4,5-tetrabromophenyl)prop-2-enoic acid
Canonical SMILES
C1=C(C(=C(C(=C1Br)Br)Br)Br)/C=C/C(=O)O
InChI
InChI=1S/C9H4Br4O2/c10-5-3-4(1-2-6(14)15)7(11)9(13)8(5)12/h1-3H,(H,14,15)/b2-1+
InChIKey
SVJQCVOKYJWUBC-OWOJBTEDSA-N
Cross-matching ID
PubChem CID
16760346
ChEBI ID
CHEMBL270724
CAS Number
934358-00-6
TTD ID
D06KDU
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Casein kinase II (CSNK2) TTZ5NI7 NOUNIPROTAC Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Tetrabromocinnamic acid (TBCA) and related compounds represent a new class of specific protein kinase CK2 inhibitors. Chembiochem. 2007 Jan 2;8(1):129-39.