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Compound Detail

CHEMBL238321

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CS(=O)(=O)Nc1cccc(Nc2c(C#N)cnc3cnc(NCCN4CCOCC4)cc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL238321
Phase Preclinical
Structure Type MOL
InChI Key GJPXENMSMOWYMA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

467.6
MW (Da)
2.36
ALogP
9
HBA
3
HBD
132.3
PSA (Ų)
0.46
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 C22H25N7O3S
MW 467.56
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.82

Literature References

PubMed DOI Target Context # Activities
17664070 10.1016/j.bmc.2007.06.054 Unchecked 1

Data from ChEMBL 36 via Core Engine