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Compound Detail

CHEMBL3753640

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CC(C)(CCCOc1ccc(/C=C/c2ccc(Cl)cc2Cl)cc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3753640
Phase Preclinical
Structure Type MOL
InChI Key GOTDBPRLIIKBDA-QPJJXVBHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

393.3
MW (Da)
6.43
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.42
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22Cl2O3
MW 393.31
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.43

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