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Compound Detail

CHEMBL5419810

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NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)CCCCCCCn1cnc2c(I)c(I)c(I)c(I)c21)C(=O)O

Basic Information

ChEMBL ID CHEMBL5419810
Phase Preclinical
Structure Type MOL
InChI Key LCVSIPZWVVNQSR-JNFBOQJPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

1582.6
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C45H58I4N10O21
MW 1582.62

Activity Summary

Ki 1 meas. best 10.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Casein kinase 2
CHEMBL3832943
Ki 10.08 10.08 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Casein kinase 2 Ki = 0.084 nM 10.08 Binding affinity to CK2 (unknown origin) assessed as inhibition constant 36745746

Literature References

PubMed DOI Target Context # Activities
36745746 10.1021/acs.jmedchem.2c01523 Casein kinase 2 1

Data from ChEMBL 36 via Core Engine