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Compound Detail

CHEMBL596918

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CCc1cc(-c2n[nH]c(CCC(=O)O)c2-c2nnc(-c3ccccc3)s2)c(O)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL596918
Phase Preclinical
Structure Type MOL
InChI Key VUUBYHHHABSWNI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

436.5
MW (Da)
4.25
ALogP
7
HBA
4
HBD
132.2
PSA (Ų)
0.34
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20N4O4S
MW 436.49
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.43

Literature References

PubMed DOI Target Context # Activities
20045642 10.1016/j.bmcl.2009.12.060 Unchecked 1

Data from ChEMBL 36 via Core Engine