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Compound Detail

CHEMBL478563

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CC(=O)N(Cc1ccc(C[C@@H](C(=O)O)n2cccc2)cc1)Cc1nc(-c2ccccc2)oc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL478563
Phase Preclinical
Structure Type MOL
InChI Key QWVMMWLVLYZWJO-VWLOTQADSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

457.5
MW (Da)
4.87
ALogP
5
HBA
1
HBD
88.6
PSA (Ų)
0.39
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 C27H27N3O4
MW 457.53
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.14

Literature References

PubMed DOI Target Context # Activities
18394907 10.1016/j.bmc.2008.03.043 Peroxisome proliferator-activated receptor gamma 3
18394907 10.1016/j.bmc.2008.03.043 Peroxisome proliferator-activated receptor alpha 3
18394907 10.1016/j.bmc.2008.03.043 Unchecked 1

Data from ChEMBL 36 via Core Engine