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Compound Detail

CHEMBL36344

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CCCCCCCCCCCOc1ccc(C(SCCC(=O)O)SCCC(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL36344
Phase Preclinical
Structure Type MOL
InChI Key JLNIGSJKDNFHKJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

470.7
MW (Da)
7.01
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.16
QED
1
Ro5 Violations
20
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H38O5S2
MW 470.70
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness -0.07

Literature References

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

Data from ChEMBL 36 via Core Engine