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Compound Detail

CHEMBL467369

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Cc1ccc(-c2nc(CCCOc3ccc(C[C@H]4CO[C@@](C)(C(=O)O)OC4)cc3)c(C)o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL467369
Phase Preclinical
Structure Type MOL
InChI Key NUTSAHFLDPOCMD-ZSQTZEJBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

465.6
MW (Da)
4.98
ALogP
6
HBA
1
HBD
91.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H31NO6
MW 465.55
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.35

Literature References

PubMed DOI Target Context # Activities
18625559 10.1016/j.bmc.2008.06.050 Peroxisome proliferator-activated receptor alpha 2
18625559 10.1016/j.bmc.2008.06.050 Peroxisome proliferator-activated receptor gamma 2
18625559 10.1016/j.bmc.2008.06.050 Peroxisome proliferator-activated receptor delta 1

Data from ChEMBL 36 via Core Engine