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Compound Detail

CHEMBL415769

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CCn1c(C2C=CC=CN2)nc2cnccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL415769
Phase Preclinical
Structure Type MOL
InChI Key DCIULJIPUMQXIK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

226.3
MW (Da)
2.17
ALogP
4
HBA
1
HBD
42.7
PSA (Ų)
0.85
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 C13H14N4
MW 226.28
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.58

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