casein kinase II inhibitor III   Click here for help

GtoPdb Ligand ID: 5941

Synonyms: TBCA | tetrabromocinnamic acid
Compound class: Synthetic organic
Comment: TBCA is a selective, cell-permeable inhibitor of casein kinase 2 (CK2) and has minimal effect on a panel of 28 other kinases [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 37.3
Molecular weight 459.69
XLogP 5.1
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C=Cc1cc(Br)c(c(c1Br)Br)Br
Isomeric SMILES OC(=O)/C=C/c1cc(Br)c(c(c1Br)Br)Br
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+
InChI Key SVJQCVOKYJWUBC-OWOJBTEDSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2E)-3-(2,3,4,5-tetrabromophenyl)prop-2-enoic acid
Synonyms Click here for help
TBCA | tetrabromocinnamic acid
Database Links Click here for help
CAS Registry No. 934358-00-6
ChEMBL Ligand CHEMBL270724
GtoPdb PubChem SID 178102564
PubChem CID 16760346
Search Google for chemical match using the InChIKey SVJQCVOKYJWUBC-OWOJBTEDSA-N
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UniChem Compound Search for chemical match using the InChIKey SVJQCVOKYJWUBC-OWOJBTEDSA-N
UniChem Connectivity Search for chemical match using the InChIKey SVJQCVOKYJWUBC-OWOJBTEDSA-N

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Tocris
TBCA
Cat. No. 2825