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Compound Detail

CHEMBL1090391

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NC(=O)c1sc2nc3c(c(CCc4ccccc4)c2c1N)CCCCCC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1090391
Phase Preclinical
Structure Type MOL
InChI Key CGYOGQIVPPSZQL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

379.5
MW (Da)
4.42
ALogP
4
HBA
2
HBD
82.0
PSA (Ų)
0.70
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 C22H25N3OS
MW 379.53
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.97

Literature References

PubMed DOI Target Context # Activities
20189382 10.1016/j.bmcl.2010.02.005 Eukaryotic elongation factor 2 kinase 1

Data from ChEMBL 36 via Core Engine