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Compound Detail

CHEMBL50259

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O=C1NC(=O)C(c2ccc(OCCCOc3ccc(Oc4ccccc4)cc3)cc2)S1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL50259
Phase Preclinical
Structure Type MOL
InChI Key PRNUTUAJBKBRMG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

435.5
MW (Da)
5.35
ALogP
6
HBA
1
HBD
73.9
PSA (Ų)
0.46
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21NO5S
MW 435.50
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.32

Literature References

PubMed DOI Target Context # Activities
12729668 10.1016/s0960-894x(03)00257-9 Peroxisome proliferator-activated receptor alpha 1
12729668 10.1016/s0960-894x(03)00257-9 Peroxisome proliferator-activated receptor delta 1
12729668 10.1016/s0960-894x(03)00257-9 Peroxisome proliferator-activated receptor gamma 1
- 10.1007/s00044-010-9428-9 Peroxisome proliferator-activated receptor gamma 1

Data from ChEMBL 36 via Core Engine