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Compound Detail

CHEMBL416949

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CCCCCCCCCCC[C@@H]1CCC(SCCC(=O)O)(SCCC(=O)O)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL416949
Phase Preclinical
Structure Type MOL
InChI Key UAXDYUPNCMJYQL-JOCHJYFZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

494.8
MW (Da)
8.05
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.16
QED
1
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H42O4S2
MW 494.76
Aromatic Rings 1
Heavy Atoms 33
NP-Likeness 0.49

Literature References

PubMed DOI Target Context # Activities
3016267 10.1021/jm00158a021 Cysteinyl leukotriene receptor 2

Data from ChEMBL 36 via Core Engine