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Compound Detail

CHEMBL3751930

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CC(C)(CCCOc1ccc(/C=C/c2ccncc2)cc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3751930
Phase Preclinical
Structure Type MOL
InChI Key WADDFLSAIVQQRO-SNAWJCMRSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
4.52
ALogP
3
HBA
1
HBD
59.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23NO3
MW 325.41
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.14

Activity Summary

EC50 1 meas.

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