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Compound Detail

CHEMBL4177303

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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)CCCCCNC(=O)CCC(=O)Nc1ncc(-c2ccc(C(=O)O)cc2)s1)C(=O)O

Basic Information

ChEMBL ID CHEMBL4177303
Phase Preclinical
Structure Type MOL
InChI Key JOUUYEIPBYLNSM-UEWBEXHJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

1252.2
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C50H65N11O25S
MW 1252.19

Activity Summary

Kd 1 meas. best 9.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Casein kinase II subunit alpha
CHEMBL3629
Kd 9.24 9.24 0.6 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
30217463 10.1016/j.bmc.2018.09.003 Casein kinase II subunit alpha 4
30217463 10.1016/j.bmc.2018.09.003 3-phosphoinositide-dependent protein kinase 1 2
30217463 10.1016/j.bmc.2018.09.003 Mitogen-activated protein kinase 8 1
30217463 10.1016/j.bmc.2018.09.003 Unchecked 1
30217463 10.1016/j.bmc.2018.09.003 Tyrosine-protein kinase JAK3 1
30217463 10.1016/j.bmc.2018.09.003 Protein kinase C alpha type 1
30217463 10.1016/j.bmc.2018.09.003 Serine/threonine-protein kinase PAK 4 1
30217463 10.1016/j.bmc.2018.09.003 Myosin light chain kinase, smooth muscle 1
30217463 10.1016/j.bmc.2018.09.003 Dual specificity protein kinase TTK 1
30217463 10.1016/j.bmc.2018.09.003 Rho-associated protein kinase 2 1
30217463 10.1016/j.bmc.2018.09.003 Ribosomal protein S6 kinase alpha-1 1
30217463 10.1016/j.bmc.2018.09.003 AMP-activated protein kinase, AMPK 1
30217463 10.1016/j.bmc.2018.09.003 Calcium/calmodulin-dependent protein kinase kinase 2 1
30217463 10.1016/j.bmc.2018.09.003 Interleukin-1 receptor-associated kinase 4 1
30217463 10.1016/j.bmc.2018.09.003 Ephrin type-A receptor 2 1
30217463 10.1016/j.bmc.2018.09.003 Ribosomal protein S6 kinase alpha-5 1
30217463 10.1016/j.bmc.2018.09.003 Mitogen-activated protein kinase kinase kinase 11 1
30217463 10.1016/j.bmc.2018.09.003 Dual specificity mitogen-activated protein kinase kinase 1 1
30217463 10.1016/j.bmc.2018.09.003 Tyrosine-protein kinase BTK 1
30217463 10.1016/j.bmc.2018.09.003 Serine/threonine-protein kinase Nek6 1

Data from ChEMBL 36 via Core Engine