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Compound Detail

CHEMBL1775095

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CS(=O)(=O)c1ccc(Oc2ccc(OCCN3CCCC3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1775095
Phase Preclinical
Structure Type MOL
InChI Key IXJGVCBAVZVSPL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

361.5
MW (Da)
3.36
ALogP
5
HBA
0
HBD
55.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23NO4S
MW 361.46
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
21542630 10.1021/jm200063s Prostaglandin G/H synthase 2 2
21542630 10.1021/jm200063s Leukotriene A-4 hydrolase 2
21542630 10.1021/jm200063s Prostaglandin G/H synthase 1 1

Data from ChEMBL 36 via Core Engine