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Compound Detail

CHEMBL361678

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CCn1c(-c2c(C)n[nH]c2N)nc2cnccc21

Basic Information

ChEMBL ID CHEMBL361678
Phase Preclinical
Structure Type MOL
InChI Key USQOEHXTPVWMTN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

242.3
MW (Da)
1.73
ALogP
5
HBA
2
HBD
85.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H14N6
MW 242.29
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.52

Activity Summary

IC50 1 meas. best 7.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ribosomal protein S6 kinase alpha-5
CHEMBL4237
IC50 7.26 7.26 55.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Ribosomal protein S6 kinase alpha-5 IC50 = 55.0 nM 7.26 Inhibitory concentration exhibited towards MSK-1 15950465

Literature References

PubMed DOI Target Context # Activities
15950465 10.1016/j.bmcl.2005.05.021 Ribosomal protein S6 kinase alpha-5 1

Data from ChEMBL 36 via Core Engine