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Compound Detail

CHEMBL188543

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CCn1c(-c2c(N)noc2C)nc2cnccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL188543
Phase Preclinical
Structure Type MOL
InChI Key ZUEQSBHDLQSGFM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

243.3
MW (Da)
2.00
ALogP
6
HBA
1
HBD
82.8
PSA (Ų)
0.74
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 C12H13N5O
MW 243.27
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.35

Literature References

PubMed DOI Target Context # Activities
15950465 10.1016/j.bmcl.2005.05.021 Ribosomal protein S6 kinase alpha-5 1
- 10.6019/CHEMBL3988181 Unchecked 1
33569941 10.1021/acs.jmedchem.0c01901 Ribosomal protein S6 kinase alpha-5 1

Data from ChEMBL 36 via Core Engine