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Compound Detail

CHEMBL370268

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NC(=O)C1(c2cccc(Sc3ccc(-n4cnnc4)cc3)c2)CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL370268
Phase Preclinical
Structure Type MOL
InChI Key SCXCJYKCXBCAAQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

380.5
MW (Da)
2.95
ALogP
6
HBA
1
HBD
83.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N4O2S
MW 380.47
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.40

Literature References

PubMed DOI Target Context # Activities
15863327 10.1016/j.bmcl.2005.03.041 Polyunsaturated fatty acid 5-lipoxygenase 3

Data from ChEMBL 36 via Core Engine