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Compound Detail

CHEMBL177820

TETRABROMOBENZOTRIAZOLE
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Brc1c(Br)c(Br)c2[nH]nnc2c1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL177820
Name TETRABROMOBENZOTRIAZOLE
Phase Preclinical
Structure Type MOL
InChI Key OMZYUVOATZSGJY-UHFFFAOYSA-N
9
Targets
38
Activities
4
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

434.7
MW (Da)
4.01
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C6HBr4N3
MW 434.71
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -0.44

Activity Summary

IC50 27 meas. best 8.77
Ki 6 meas. best 6.52
EC50 4 meas. best 4.4
Kd 1 meas. best 6.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 8.77 5.7073 1.7 11
Casein kinase II
CHEMBL2095191
 IC50 7.22 6.48 60.0 5
Casein kinase II subunit alpha
CHEMBL3629
 Ki 6.52 6.44 300.0 3
Casein kinase II subunit alpha
CHEMBL3629
 IC50 6.5 6.196 320.0 5
Casein kinase 2
CHEMBL3832943
 Ki 6.4 6.4 400.0 1
Casein kinase 2
CHEMBL3988629
 Ki 6.4 6.4 400.0 1
Casein kinase 2
CHEMBL3832943
 IC50 6.3 6.1333 500.0 3
Casein kinase II alpha/beta
CHEMBL3038477
 Kd 6.1 6.1 790.0 1
Casein kinase 2
CHEMBL3988629
 IC50 5.8 5.8 1600.0 1
Casein kinase II
CHEMBL2095191
 Ki 5.57 5.57 2700.0 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
 IC50 5.36 5.36 4360.0 1
NS3
CHEMBL1293269
 IC50 4.7 4.7 20000.0 1
Hepatitis C virus
CHEMBL379
 EC50 4.4 4.2925 40000.0 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1.7 nM 8.77 Inhibition of NS3-associated WNV helicase activity using DNA substrate 18077363
Casein kinase II IC50 = 60.0 nM 7.22 Inhibition of human recombinant CK2 expressed in Escherichia coli BL21(DE3) usin... 23711832
Casein kinase II IC50 = 60.0 nM 7.22 Inhibition of human recombinant CK2a1/CK2b holoenzyme expressed in Escherichia c... 25272055
Casein kinase II subunit alpha Ki = 300.0 nM 6.52 Inhibition of CK2alpha in human PLC1 cells using (Arg)3(Glu)3Thr(Glu)3 as substr... 31400711
Casein kinase II subunit alpha IC50 = 320.0 nM 6.5 Inhibition of human CK2alpha using RRRDDDSDDD peptide substrate by P81 filter-bi... 25036794
Casein kinase 2 Ki = 400.0 nM 6.4 Inhibition of rat liver CK2 phosphorylation using RRRADDSDDDDD as substrate in p... 36745746
Casein kinase 2 Ki = 400.0 nM 6.4 Inhibition of CK2 (unknown origin) 33834781
Casein kinase II subunit alpha Ki = 400.0 nM 6.4 Binding affinity to CK2alpha (unknown origin) 25036794
Casein kinase II subunit alpha Ki = 400.0 nM 6.4 Inhibitory constant against Zea mays CK2alpha 12816539
Casein kinase II subunit alpha IC50 = 500.0 nM 6.3 Inhibition of human recombinant casein kinase 2 subunit alpha expressed in Esche... 19168362
Casein kinase 2 IC50 = 500.0 nM 6.3 Inhibition of human recombinant casein kinase 2 subunit alpha2beta2 expressed in... 19168362
Casein kinase II subunit alpha IC50 = 500.0 nM 6.3 Inhibition of Zea mays CK2alpha 12816539
Unchecked IC50 = 500.0 nM 6.3 Inhibition of wild-type CK2 holoenzyme 12816539
Casein kinase 2 IC50 = 500.0 nM 6.3 Inhibition of human recombinant GST-tagged CK-2 using RRRADDSDDDDD as substrate ... 33077264
Casein kinase II alpha/beta Kd = 790.0 nM 6.1 Binding affinity to recombinant human CK2alpha/beta expressed in Escherichia col... 29934219
Casein kinase II subunit alpha IC50 = 900.0 nM 6.05 Inhibition of GST-fused human recombinant CK2alpha expressed in Escherichia coli... 19414254
Casein kinase II IC50 = 900.0 nM 6.05 Inhibition of CK2 (unknown origin) 25912672
Unchecked IC50 = 900.0 nM 6.05 Inhibition of NS3-associated WNV helicase activity using RNA substrate 18077363
Unchecked IC50 = 900.0 nM 6.05 Inhibition of casein kinase 2 in rat liver 18077363
Casein kinase II IC50 = 1000.0 nM 6.0 Inhibition of CK2 (unknown origin) using E-peptide as substrate incubated for 10... -

Literature References

PubMed DOI Target Context # Activities
25131958 10.1016/j.bmc.2014.07.037 NON-PROTEIN TARGET 13
15566294 10.1021/jm049854a Unchecked 5
18077363 10.1073/pnas.0708800104 Unchecked 5
12816539 10.1042/bj20030674 Unchecked 5
18625766 10.1128/aac.01534-07 ADMET 4
25036794 10.1016/j.ejmech.2014.07.019 MCF7 4
25036794 10.1016/j.ejmech.2014.07.019 CCRF-CEM 4
18625766 10.1128/aac.01534-07 Hepatitis C virus 4
34812616 10.1021/acs.jmedchem.1c01547 Unchecked 3
25131958 10.1016/j.bmc.2014.07.037 Casein kinase II 3
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
18077363 10.1073/pnas.0708800104 Serine/threonine-protein kinase 26 2
17360676 10.1073/pnas.0611681104 Dengue virus 2
25272055 10.1021/jm500943z Casein kinase II 2
12816539 10.1042/bj20030674 Casein kinase II subunit alpha 2
23711832 10.1016/j.ejmech.2013.04.051 Casein kinase II 2
25036794 10.1016/j.ejmech.2014.07.019 Casein kinase II subunit alpha 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
36745746 10.1021/acs.jmedchem.2c01523 Casein kinase 2 2
25131958 10.1016/j.bmc.2014.07.037 Unchecked 2

Data from ChEMBL 36 via Core Engine