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Compound Detail

CHEMBL1081206

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COc1ccc(-c2nc(COc3ccc4oc(C(=O)O)cc4c3)sc2-c2ccc(C(F)(F)F)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1081206
Phase Preclinical
Structure Type MOL
InChI Key AMOIUYLHGXKLFT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

525.5
MW (Da)
7.53
ALogP
6
HBA
1
HBD
81.8
PSA (Ų)
0.24
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H18F3NO5S
MW 525.50
Aromatic Rings 5
Heavy Atoms 37
NP-Likeness -0.92

Literature References

PubMed DOI Target Context # Activities
19928766 10.1021/jm9007399 Peroxisome proliferator-activated receptor alpha 1
19928766 10.1021/jm9007399 Peroxisome proliferator-activated receptor gamma 1
19928766 10.1021/jm9007399 Peroxisome proliferator-activated receptor delta 1

Data from ChEMBL 36 via Core Engine