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Compound Detail

CHEMBL1765912

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COc1ccc(/C=C2\SC(N3CCCC3)=NC2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1765912
Phase Preclinical
Structure Type MOL
InChI Key SQTYFQKACUMXOM-RAXLEYEMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

288.4
MW (Da)
2.76
ALogP
4
HBA
0
HBD
41.9
PSA (Ų)
0.78
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 C15H16N2O2S
MW 288.37
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.48

Literature References

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

Data from ChEMBL 36 via Core Engine