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Compound Detail

CHEMBL270724

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O=C(O)/C=C/c1cc(Br)c(Br)c(Br)c1Br

Basic Information

ChEMBL ID CHEMBL270724
Phase Preclinical
Structure Type MOL
InChI Key SVJQCVOKYJWUBC-OWOJBTEDSA-N
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

463.8
MW (Da)
4.83
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.39
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H4Br4O2
MW 463.75
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.71

Activity Summary

IC50 5 meas. best 6.96
Ki 2 meas. best 7.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Casein kinase II subunit alpha
CHEMBL3629
Ki 7.11 7.11 77.0 1
Casein kinase 2
CHEMBL3988629
Ki 7.11 7.11 77.0 1
Casein kinase II
CHEMBL2095191
IC50 6.96 6.96 110.0 1
Casein kinase 2
CHEMBL3988629
IC50 6.96 6.96 110.0 1
Unchecked
CHEMBL612545
IC50 6.96 6.96 110.0 2
Interferon-induced, double-stranded RNA-activated protein kinase
CHEMBL5785
IC50 5.16 5.16 7000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23398362 10.1042/bj20121418 Insulin receptor 4
23398362 10.1042/bj20121418 Insulin-like growth factor 1 receptor 4
23398362 10.1042/bj20121418 cGMP-dependent protein kinase 1 4
23398362 10.1042/bj20121418 Cyclin-dependent kinase 5/CDK5 activator 1 4
23398362 10.1042/bj20121418 Serine/threonine-protein kinase mTOR 4
23398362 10.1042/bj20121418 Protein kinase C beta type 4
23398362 10.1042/bj20121418 Tyrosine-protein kinase Lck 4
23398362 10.1042/bj20121418 Tyrosine-protein kinase HCK 4
23398362 10.1042/bj20121418 Casein kinase I isoform delta 2
23398362 10.1042/bj20121418 Cyclin-dependent kinase 2/cyclin E 2
23398362 10.1042/bj20121418 Dual specificity mitogen-activated protein kinase kinase 1 2
23398362 10.1042/bj20121418 Inhibitor of nuclear factor kappa-B kinase subunit alpha 2
23398362 10.1042/bj20121418 Tyrosine-protein kinase Fyn 2
23398362 10.1042/bj20121418 Fibroblast growth factor receptor 3 2
23398362 10.1042/bj20121418 Ephrin type-A receptor 4 2
23398362 10.1042/bj20121418 Calcium/calmodulin-dependent protein kinase type 1D 2
36745746 10.1021/acs.jmedchem.2c01523 Casein kinase 2 2
23398362 10.1042/bj20121418 Tyrosine-protein kinase ABL2 2
23398362 10.1042/bj20121418 Serine/threonine-protein kinase Nek7 2
23398362 10.1042/bj20121418 Serine/threonine-protein kinase Nek6 2

Data from ChEMBL 36 via Core Engine