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Compound Detail

CHEMBL1775108

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CS(=O)(=O)N(c1ccccc1Oc1ccc(OCCN2CCCC2)cc1)S(C)(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1775108
Phase Preclinical
Structure Type MOL
InChI Key WPWIDUSGQRGIMF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

454.6
MW (Da)
2.68
ALogP
7
HBA
0
HBD
93.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26N2O6S2
MW 454.57
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.94

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