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Compound Detail

CHEMBL1093095

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NC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCCCCCCC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1093095
Phase Preclinical
Structure Type MOL
InChI Key ZQGFAHWTQSCDJF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

369.5
MW (Da)
4.68
ALogP
5
HBA
2
HBD
95.1
PSA (Ų)
0.69
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 C20H23N3O2S
MW 369.49
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.47

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