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Compound Detail

CHEMBL419634

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COCCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4ccc(C#N)cn34)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL419634
Phase Preclinical
Structure Type MOL
InChI Key OQUMUPWXLNHMSI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

449.5
MW (Da)
2.33
ALogP
9
HBA
2
HBD
134.3
PSA (Ų)
0.39
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19N7O3S
MW 449.50
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -2.02

Literature References

PubMed DOI Target Context # Activities
15081017 10.1016/j.bmcl.2004.02.015 Cyclin-dependent kinase 2 1

Data from ChEMBL 36 via Core Engine