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Compound Detail

CHEMBL1765911

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Cc1ccc(/C=C2\SC(Nc3ccc4ccccc4c3)=NC2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1765911
Phase Preclinical
Structure Type MOL
InChI Key STMONKONLHGOSP-UNOMPAQXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

344.4
MW (Da)
5.23
ALogP
3
HBA
1
HBD
41.5
PSA (Ų)
0.65
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16N2OS
MW 344.44
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.41

Literature References

PubMed DOI Target Context # Activities
21341744 10.1021/jm101165z Polyunsaturated fatty acid 5-lipoxygenase 6

Data from ChEMBL 36 via Core Engine