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Compound Detail

CHEMBL3673635

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CCn1c(NC(=O)c2ccc3cc4n(c3n2)[C@H](C)CNC4=O)nc2ccccc21

Basic Information

ChEMBL ID CHEMBL3673635
Phase Preclinical
Structure Type MOL
InChI Key QKXWJSXDKHCSDT-GFCCVEGCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

388.4
MW (Da)
2.96
ALogP
6
HBA
2
HBD
93.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20N6O2
MW 388.43
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.05

Activity Summary

IC50 1 meas. best 7.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ribosomal protein S6 kinase alpha-3
CHEMBL2345
IC50 7.58 7.58 26.5 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine