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Compound Detail

CHEMBL238326

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N#Cc1cnc2ccc(NCCN3CCOCC3)cc2c1Nc1ccc(Oc2ccccc2)cc1

Basic Information

ChEMBL ID CHEMBL238326
Phase Preclinical
Structure Type MOL
InChI Key OKICABRVFRDYTR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

465.6
MW (Da)
5.39
ALogP
7
HBA
2
HBD
82.4
PSA (Ų)
0.36
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H27N5O2
MW 465.56
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.57

Activity Summary

IC50 1 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.6 6.6 250.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 250.0 nM 6.6 Inhibition of Tpl2 kinase assessed as MEK phosphorylation by ELISA 17664070

Literature References

PubMed DOI Target Context # Activities
17664070 10.1016/j.bmc.2007.06.054 Unchecked 1

Data from ChEMBL 36 via Core Engine