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Compound Detail

CHEMBL473965

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Cc1ccc(-c2cn(CCCO)c3ncnc(N)c23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL473965
Phase Preclinical
Structure Type MOL
InChI Key USWQTQGAOQGPHR-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

282.4
MW (Da)
2.37
ALogP
5
HBA
2
HBD
77.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18N4O
MW 282.35
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.69

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
15919995 10.1126/science1108367 Ribosomal protein S6 kinase alpha-3 3

Data from ChEMBL 36 via Core Engine