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Compound Detail

CHEMBL269242

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C[C@H](Nc1cc2c(NC3CCCCCC3)c(C#N)cnc2cn1)c1ccccc1

Basic Information

ChEMBL ID CHEMBL269242
Phase Preclinical
Structure Type MOL
InChI Key RBGPXYQNSIGOMC-KRWDZBQOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

385.5
MW (Da)
5.81
ALogP
5
HBA
2
HBD
73.6
PSA (Ų)
0.54
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27N5
MW 385.52
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.12

Activity Summary

IC50 1 meas. best 6.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.04 6.04 920.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 920.0 nM 6.04 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