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Compound Detail

CHEMBL4068482

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COc1ccc2c(c1)cc(CCCC(=O)O)n2S(=O)(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4068482
Phase Preclinical
Structure Type MOL
InChI Key ORONXZGIKSNBIT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

373.4
MW (Da)
3.29
ALogP
5
HBA
1
HBD
85.6
PSA (Ų)
0.69
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 C19H19NO5S
MW 373.43
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.65

Literature References

PubMed DOI Target Context # Activities
29446942 10.1021/acs.jmedchem.7b01285 Peroxisome proliferator-activated receptor alpha 2
29446942 10.1021/acs.jmedchem.7b01285 Peroxisome proliferator-activated receptor delta 2
29446942 10.1021/acs.jmedchem.7b01285 Peroxisome proliferator-activated receptor gamma 2

Data from ChEMBL 36 via Core Engine