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Compound Detail

CHEMBL3753947

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CC(C)c1ccc(/C=C/c2ccc(OCCCC(C)(C)C(=O)O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3753947
Phase Preclinical
Structure Type MOL
InChI Key FBUVZLRZPUUMMH-VOTSOKGWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

366.5
MW (Da)
6.25
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.42
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 C24H30O3
MW 366.50
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.04

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C5MD00151J Peroxisome proliferator-activated receptor alpha 2
- 10.1039/C5MD00151J Peroxisome proliferator-activated receptor gamma 1
- 10.1039/C5MD00151J Peroxisome proliferator-activated receptor delta 1

Data from ChEMBL 36 via Core Engine