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Compound Detail

CHEMBL4075701

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CCN1c2cc(S(=O)(=O)O)ccc2/C(=C\C=C\C=C\C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C1(C)CCCC(=O)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(Br)c(Br)c(Br)c(Br)c21)C(=O)O

Basic Information

ChEMBL ID CHEMBL4075701
Phase Preclinical
Structure Type MOL
InChI Key MTDHUZHEHPUPJT-AMAAKMFZSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

2019.4
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C77H94Br4N12O28S2
MW 2019.41

Activity Summary

Kd 2 meas. best 9.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Casein kinase II subunit alpha
CHEMBL3629
Kd 9.4 9.4 0.4 1
Albumin
CHEMBL3728
Kd 5.77 5.77 1700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
28274673 10.1016/j.bmc.2017.02.055 Albumin 1
28274673 10.1016/j.bmc.2017.02.055 Casein kinase II subunit alpha 1

Data from ChEMBL 36 via Core Engine